smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)c1Cl ZINC000753779075 736094219 /nfs/dbraw/zinc/09/42/19/736094219.db2.gz LBJLXUMVWZDUPO-UHFFFAOYSA-N -2 0 366.782 2.725 20 30 FFEDRL CCN(C(C)=O)c1nc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])cs1 ZINC000757471446 736406449 /nfs/dbraw/zinc/40/64/49/736406449.db2.gz CISKFPKQVKMOIG-ALCCZGGFSA-N -2 0 360.391 2.816 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000775298506 738081861 /nfs/dbraw/zinc/08/18/61/738081861.db2.gz WGKPLLQJTALVAE-UHFFFAOYSA-N -2 0 359.403 2.814 20 30 FFEDRL Cc1cc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)ccc1C(=O)[O-] ZINC000795347105 740007562 /nfs/dbraw/zinc/00/75/62/740007562.db2.gz FPSWMTWPWYNNAN-LBPRGKRZSA-N -2 0 360.391 2.785 20 30 FFEDRL CC(C)c1nc([N-]S(=O)(=O)c2ccc(C#N)cc2F)sc1C(=O)[O-] ZINC001592030411 976736377 /nfs/dbraw/zinc/73/63/77/976736377.db2.gz OWRQHCFCTQEOFU-UHFFFAOYSA-N -2 0 369.399 2.776 20 30 FFEDRL O=C([O-])c1ccc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1 ZINC000916130099 989743860 /nfs/dbraw/zinc/74/38/60/989743860.db2.gz HYCFSVZAPJEPOZ-XVNBXDOJSA-N -2 0 367.401 2.819 20 30 FFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001599347311 998032069 /nfs/dbraw/zinc/03/20/69/998032069.db2.gz BQIMURYPPRVHFL-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL Cc1ccc(S(=O)(=O)[N-]c2onc(C(C)(C)C)c2C#N)cc1C(=O)[O-] ZINC001184663412 1002680190 /nfs/dbraw/zinc/68/01/90/1002680190.db2.gz IKGGNYVPVZDHPO-UHFFFAOYSA-N -2 0 363.395 2.651 20 30 FFEDRL CC[C@@H](NN=Cc1ccc(OCc2cc(C)c(C(=O)[O-])o2)cc1)C(=O)[O-] ZINC000793072085 1003270678 /nfs/dbraw/zinc/27/06/78/1003270678.db2.gz OSHPJIXDBHFLAB-OAHLLOKOSA-N -2 0 360.366 2.652 20 30 FFEDRL CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])cs1)C1CC1 ZINC000806560752 1004361538 /nfs/dbraw/zinc/36/15/38/1004361538.db2.gz OJJVRVZTEJGFIU-CLTKARDFSA-N -2 0 372.402 2.958 20 30 FFEDRL Cc1ccc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195185123 1004904318 /nfs/dbraw/zinc/90/43/18/1004904318.db2.gz ISIIMMJAMMABQP-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL Cc1cc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC001195189687 1004905199 /nfs/dbraw/zinc/90/51/99/1004905199.db2.gz NLJYOSIVGOXMMM-UHFFFAOYSA-N -2 0 358.347 2.705 20 30 FFEDRL N#Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187579128 1006162510 /nfs/dbraw/zinc/16/25/10/1006162510.db2.gz ORDNWFJEQLTLEO-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000757472432 1023822754 /nfs/dbraw/zinc/82/27/54/1023822754.db2.gz HKXUGSKFVGGCEB-IWQZZHSRSA-N -2 0 371.301 2.666 20 30 FFEDRL COc1cc(/C=C\C(=O)c2ccccc2[O-])c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000757476699 1023823223 /nfs/dbraw/zinc/82/32/23/1023823223.db2.gz YWQMOYUQIXQTEV-SREVYHEPSA-N -2 0 373.317 2.669 20 30 FFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000779848315 1025173979 /nfs/dbraw/zinc/17/39/79/1025173979.db2.gz LUILDJYMHVMCRZ-CYBMUJFWSA-N -2 0 374.418 2.795 20 30 FFEDRL CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC001260209373 1040465114 /nfs/dbraw/zinc/46/51/14/1040465114.db2.gz BEVUXSZHWNZXGK-UHFFFAOYSA-N -2 0 363.370 2.521 20 30 FFEDRL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1C#N ZINC000504507773 515317746 /nfs/dbraw/zinc/31/77/46/515317746.db2.gz MWGVDTQIIPDVNP-UHFFFAOYSA-N -2 0 360.391 2.521 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000463525532 515535865 /nfs/dbraw/zinc/53/58/65/515535865.db2.gz LQZCYCPOJPBXHM-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1C#N ZINC000738194924 600331655 /nfs/dbraw/zinc/33/16/55/600331655.db2.gz DQPBJTOJUCCUOT-UHFFFAOYSA-N -2 0 372.406 2.743 20 30 FFEDRL C=C(C)COc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000825647677 601839311 /nfs/dbraw/zinc/83/93/11/601839311.db2.gz TZRBHPYRMVOFMV-UHFFFAOYSA-N -2 0 354.409 2.597 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c(F)c1 ZINC000833069779 601861606 /nfs/dbraw/zinc/86/16/06/601861606.db2.gz PWLRETBADFBVFE-UHFFFAOYSA-N -2 0 371.296 2.866 20 30 FFEDRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000760364930 736633080 /nfs/dbraw/zinc/63/30/80/736633080.db2.gz POTFPXXATURSFB-UHFFFAOYSA-N -2 0 370.383 2.597 20 30 FFEDRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000790382692 739446178 /nfs/dbraw/zinc/44/61/78/739446178.db2.gz ZABUNXPVINQSPZ-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000198602675 959631588 /nfs/dbraw/zinc/63/15/88/959631588.db2.gz OCINMFYNUSYPNF-KMKOMSMNSA-N -2 0 356.330 2.510 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1C#N ZINC001599805459 988248347 /nfs/dbraw/zinc/24/83/47/988248347.db2.gz WOMLAALOQVPZIY-VIFPVBQESA-N -2 0 357.391 2.821 20 30 FFEDRL O=C([O-])C(=O)/C(=C\c1ccc(O)c(C(=O)[O-])c1)c1ccc2ccccc2n1 ZINC000809152429 994428578 /nfs/dbraw/zinc/42/85/78/994428578.db2.gz QXBXNTAKUAPHAR-LCYFTJDESA-N -2 0 363.325 2.833 20 30 FFEDRL COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])ccc1OCC#N ZINC000806561787 1004363043 /nfs/dbraw/zinc/36/30/43/1004363043.db2.gz ZWVAFAOEQLTIOD-QHHAFSJGSA-N -2 0 353.330 2.897 20 30 FFEDRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C#N)c1 ZINC001195227435 1004920692 /nfs/dbraw/zinc/92/06/92/1004920692.db2.gz NGNOVLVVGBCVIH-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228326 1040475440 /nfs/dbraw/zinc/47/54/40/1040475440.db2.gz APULPQJVBBHCAZ-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL CC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001589255554 1080449035 /nfs/dbraw/zinc/44/90/35/1080449035.db2.gz KMVLKHZPXGRSBT-UHFFFAOYSA-N -2 0 364.423 2.538 20 30 FFEDRL N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000739120965 599801721 /nfs/dbraw/zinc/80/17/21/599801721.db2.gz HQTIHYJYCSCYDG-UHFFFAOYSA-N -2 0 374.346 2.720 20 30 FFEDRL Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738230931 600167587 /nfs/dbraw/zinc/16/75/87/600167587.db2.gz UOAZJUQSCHUHSY-UHFFFAOYSA-N -2 0 357.341 2.684 20 30 FFEDRL COc1ccc([C@@H](CC(=O)[O-])/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000737951488 600494734 /nfs/dbraw/zinc/49/47/34/600494734.db2.gz VUZOEZGZUTYLHJ-LEBHLANCSA-N -2 0 374.349 2.953 20 30 FFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000736075776 600899438 /nfs/dbraw/zinc/89/94/38/600899438.db2.gz HIXFMVPICCOMNV-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000830655183 603959975 /nfs/dbraw/zinc/95/99/75/603959975.db2.gz JXOPSSIMLPGOMB-GFCCVEGCSA-N -2 0 373.390 2.883 20 30 FFEDRL Cc1nc(-c2nnn[n-]2)c(N=NCc2cc(Cl)c([O-])cc2Cl)o1 ZINC000826322789 607965075 /nfs/dbraw/zinc/96/50/75/607965075.db2.gz BNFZOURYBHDXFR-UHFFFAOYSA-N -2 0 354.157 2.622 20 30 FFEDRL N#Cc1ccc([O-])c([N-]S(=O)(=O)C2(COCc3ccccc3)CC2)c1 ZINC000882708699 733275554 /nfs/dbraw/zinc/27/55/54/733275554.db2.gz OBSIIMURLKSCAH-UHFFFAOYSA-N -2 0 358.419 2.755 20 30 FFEDRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000739671577 735056327 /nfs/dbraw/zinc/05/63/27/735056327.db2.gz WGIFRDJEQPNCJM-UHFFFAOYSA-N -2 0 366.395 2.918 20 30 FFEDRL C#CCOc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000753778109 736094293 /nfs/dbraw/zinc/09/42/93/736094293.db2.gz DAQQWBKKNAZJHA-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000775298463 738081871 /nfs/dbraw/zinc/08/18/71/738081871.db2.gz SVEVVHNZPKLYIX-UHFFFAOYSA-N -2 0 359.403 2.814 20 30 FFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ocnc1C(=O)[O-] ZINC001599966118 985908371 /nfs/dbraw/zinc/90/83/71/985908371.db2.gz HJENQBAYJFTDED-GFCCVEGCSA-N -2 0 365.345 2.687 20 30 FFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC001597056116 986540507 /nfs/dbraw/zinc/54/05/07/986540507.db2.gz RYODQLJRPDGTSC-OAHLLOKOSA-N -2 0 374.418 2.567 20 30 FFEDRL Cc1ccc(S(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)cc1C(=O)[O-] ZINC001184704095 1002688956 /nfs/dbraw/zinc/68/89/56/1002688956.db2.gz SWVCSGDGNIMOKJ-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)cn1C(C)(C)C ZINC001185876622 1003113250 /nfs/dbraw/zinc/11/32/50/1003113250.db2.gz YCXPPHJSBHBXQJ-UHFFFAOYSA-N -2 0 361.423 2.922 20 30 FFEDRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(Cl)cc(C)c1C#N ZINC001185879963 1003115508 /nfs/dbraw/zinc/11/55/08/1003115508.db2.gz WZULGDFKLWTEOH-UHFFFAOYSA-N -2 0 365.798 2.723 20 30 FFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187932708 1006327020 /nfs/dbraw/zinc/32/70/20/1006327020.db2.gz ULSRSPAEXAMZBC-UHFFFAOYSA-N -2 0 350.208 2.828 20 30 FFEDRL COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])c(OC)c2)c([O-])c1 ZINC000757471643 1023823726 /nfs/dbraw/zinc/82/37/26/1023823726.db2.gz IENANWDEZRWXHJ-CLTKARDFSA-N -2 0 358.346 2.769 20 30 FFEDRL COc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1OCC(=O)[O-] ZINC000759091815 1024461128 /nfs/dbraw/zinc/46/11/28/1024461128.db2.gz VDYDCADMLVRJTF-DJWKRKHSSA-N -2 0 373.317 2.669 20 30 FFEDRL COc1cc(C=NNc2ccccc2C(=O)[O-])ccc1OCCC(=O)[O-] ZINC000783816432 1030287866 /nfs/dbraw/zinc/28/78/66/1030287866.db2.gz LQFXXXRVRBWICZ-UHFFFAOYSA-N -2 0 358.350 2.693 20 30 FFEDRL COc1c(O)ccc(CN=Nc2oc(CC(C)C)nc2C#N)c1[N+](=O)[O-] ZINC000834947412 1035479341 /nfs/dbraw/zinc/47/93/41/1035479341.db2.gz FZYCIZKOJVRINJ-UHFFFAOYSA-N -2 0 359.342 2.813 20 30 FFEDRL Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213682 1039808250 /nfs/dbraw/zinc/80/82/50/1039808250.db2.gz GXSYCCXFJGNDTR-UHFFFAOYSA-N -2 0 369.761 2.553 20 30 FFEDRL COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C(=O)[O-])c1 ZINC000392556632 512925696 /nfs/dbraw/zinc/92/56/96/512925696.db2.gz ISJZDSXSACCKBM-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435501542 513605527 /nfs/dbraw/zinc/60/55/27/513605527.db2.gz MEAMETXWONDTCU-UHFFFAOYSA-N -2 0 366.420 2.906 20 30 FFEDRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1)C(=O)[O-] ZINC000427325621 514184390 /nfs/dbraw/zinc/18/43/90/514184390.db2.gz XTUZVCVYFLUVHX-CQSZACIVSA-N -2 0 373.434 2.716 20 30 FFEDRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000524813055 516839051 /nfs/dbraw/zinc/83/90/51/516839051.db2.gz YQOFSMVFQVGVCI-UHFFFAOYSA-N -2 0 362.382 2.860 20 30 FFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000738814605 599998937 /nfs/dbraw/zinc/99/89/37/599998937.db2.gz VCZRKRDNXZAYKJ-LBPRGKRZSA-N -2 0 359.363 2.575 20 30 FFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)CCc2ccc(C(=O)[O-])cc2)n1 ZINC000738814395 600090825 /nfs/dbraw/zinc/09/08/25/600090825.db2.gz PUBKHPQLBDPRBT-CQSZACIVSA-N -2 0 372.402 2.502 20 30 FFEDRL CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737030408 601117596 /nfs/dbraw/zinc/11/75/96/601117596.db2.gz WAFBPHSQDFIHPH-UHFFFAOYSA-N -2 0 365.436 2.941 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C#N ZINC000832770799 602322535 /nfs/dbraw/zinc/32/25/35/602322535.db2.gz HNBGEFYSFMLVGY-QMTHXVAHSA-N -2 0 371.418 2.573 20 30 FFEDRL CC(C)c1csc(C(C#N)=C([O-])c2csc(CNC(=O)[O-])n2)n1 ZINC000824476264 603441027 /nfs/dbraw/zinc/44/10/27/603441027.db2.gz JTIQGAFHGHBDJX-MRVPVSSYSA-N -2 0 350.425 2.981 20 30 FFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000829827557 604214426 /nfs/dbraw/zinc/21/44/26/604214426.db2.gz CQAYQJHMCXWEQF-OUCADQQQSA-N -2 0 353.378 2.804 20 30 FFEDRL Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1NC(=O)[O-] ZINC000830176133 604220213 /nfs/dbraw/zinc/22/02/13/604220213.db2.gz LXFQEXIAFIVPBH-OAHLLOKOSA-N -2 0 351.362 2.724 20 30 FFEDRL C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c1)C(=O)[O-] ZINC000745020901 605145866 /nfs/dbraw/zinc/14/58/66/605145866.db2.gz JYABXPBWQVABQW-PGJNLMOESA-N -2 0 370.357 2.898 20 30 FFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833402329 605598488 /nfs/dbraw/zinc/59/84/88/605598488.db2.gz JCGBWRIKWSMQKJ-YKWSONSWSA-N -2 0 372.402 2.876 20 30 FFEDRL Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cccc1-c1nn[nH]n1 ZINC000826243220 609530188 /nfs/dbraw/zinc/53/01/88/609530188.db2.gz ZIOJPSHZMAPZHJ-UHFFFAOYSA-N -2 0 374.813 2.501 20 30 FFEDRL Cc1csc(C(C#N)=C([O-])c2ccc(C[N-]C(=O)C(F)(F)F)o2)n1 ZINC000860450124 730513501 /nfs/dbraw/zinc/51/35/01/730513501.db2.gz MIEQIVBKLFSBKN-VIFPVBQESA-N -2 0 357.313 2.713 20 30 FFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000741657548 735154706 /nfs/dbraw/zinc/15/47/06/735154706.db2.gz FBSXQUOAOJBWOL-UHFFFAOYSA-N -2 0 369.395 2.707 20 30 FFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)c2cc([S-])ccc2F)n1 ZINC000798725005 740359651 /nfs/dbraw/zinc/35/96/51/740359651.db2.gz SQSUEVSUMRLHJS-NSHDSACASA-N -2 0 350.396 2.913 20 30 FFEDRL COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c([O-])c1 ZINC001599479079 998578799 /nfs/dbraw/zinc/57/87/99/998578799.db2.gz ZRRZIXIXHIQYJF-QHHAFSJGSA-N -2 0 373.317 2.669 20 30 FFEDRL COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C#N)cc1C(=O)[O-] ZINC001185314138 1002909322 /nfs/dbraw/zinc/90/93/22/1002909322.db2.gz IFWYSFZTSCVODO-UHFFFAOYSA-N -2 0 364.354 2.513 20 30 FFEDRL N#Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194002271 1004637127 /nfs/dbraw/zinc/63/71/27/1004637127.db2.gz RRDQEPBXQXZPAM-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL COC(=O)c1cc(S(=O)(=O)[N-]c2sc(C)cc2C#N)c(C)cc1[O-] ZINC001195344979 1004944603 /nfs/dbraw/zinc/94/46/03/1004944603.db2.gz GFHRLUOMQBSXKP-UHFFFAOYSA-N -2 0 366.420 2.530 20 30 FFEDRL Cc1oc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C#N)c1C ZINC001188277046 1006498699 /nfs/dbraw/zinc/49/86/99/1006498699.db2.gz SEKHNNWUYVYRMO-UHFFFAOYSA-N -2 0 354.771 2.921 20 30 FFEDRL COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc(C(=O)[O-])c(C)nc1C ZINC000776726484 1006761946 /nfs/dbraw/zinc/76/19/46/1006761946.db2.gz PDGZUMGMMNPRDN-UHFFFAOYSA-N -2 0 357.366 2.940 20 30 FFEDRL N#CCc1cc(NC(=O)c2ccccc2OP(=O)([O-])[O-])ccc1F ZINC001189899897 1007366655 /nfs/dbraw/zinc/36/66/55/1007366655.db2.gz KJCAGMWRALIBGK-UHFFFAOYSA-N -2 0 350.242 2.616 20 30 FFEDRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N ZINC000756361418 1023701250 /nfs/dbraw/zinc/70/12/50/1023701250.db2.gz ZKEBNUBAGSWLNE-UHFFFAOYSA-N -2 0 373.434 2.686 20 30 FFEDRL Cn1c(C=NNc2cccc(C(=O)[O-])c2)c(Br)cc1C(=O)[O-] ZINC001318586485 1044762656 /nfs/dbraw/zinc/76/26/56/1044762656.db2.gz CUXBDYCECVGDPR-UHFFFAOYSA-N -2 0 366.171 2.630 20 30 FFEDRL C=CC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001588721936 1080170493 /nfs/dbraw/zinc/17/04/93/1080170493.db2.gz UODRWIMKRWCKHV-KRWDZBQOSA-N -2 0 373.430 2.691 20 30 FFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000547414623 518127218 /nfs/dbraw/zinc/12/72/18/518127218.db2.gz GYCOWGSEOWRMHA-UHFFFAOYSA-N -2 0 360.391 2.683 20 30 FFEDRL COc1ccc(-c2nc(SC/C=C(\C)C(=O)[O-])[n-]c(=O)c2C#N)cc1 ZINC000832130056 600728087 /nfs/dbraw/zinc/72/80/87/600728087.db2.gz VSDKJMHVGOTMCA-JXMROGBWSA-N -2 0 357.391 2.852 20 30 FFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000736090267 600900658 /nfs/dbraw/zinc/90/06/58/600900658.db2.gz YBYXRORNXBCGGB-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000829827556 604214089 /nfs/dbraw/zinc/21/40/89/604214089.db2.gz CQAYQJHMCXWEQF-MBNYWOFBSA-N -2 0 353.378 2.804 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000775295082 738080975 /nfs/dbraw/zinc/08/09/75/738080975.db2.gz AZDFWIRURNILPQ-UHFFFAOYSA-N -2 0 359.403 2.814 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C#N ZINC001599804039 988225156 /nfs/dbraw/zinc/22/51/56/988225156.db2.gz CMIXYMBKMMKEQI-UHFFFAOYSA-N -2 0 363.782 2.985 20 30 FFEDRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(C#N)c1 ZINC001193971998 1004622605 /nfs/dbraw/zinc/62/26/05/1004622605.db2.gz RHCFFFPGPFFVEK-UHFFFAOYSA-N -2 0 369.761 2.553 20 30 FFEDRL N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194010089 1004629932 /nfs/dbraw/zinc/62/99/32/1004629932.db2.gz DSAKWCGIDJVJDO-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL N#Cc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC001187589946 1006145026 /nfs/dbraw/zinc/14/50/26/1006145026.db2.gz VJQWQDQFQCFXMZ-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C#N)c1 ZINC001187579091 1006162174 /nfs/dbraw/zinc/16/21/74/1006162174.db2.gz NAPCZSPWIQDRGN-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL CC(CCc1ccc(OCc2cccc(C(=O)[O-])c2)cc1)=NNCC(=O)[O-] ZINC000814960999 1006480234 /nfs/dbraw/zinc/48/02/34/1006480234.db2.gz VIYGXIIBFUASDH-UHFFFAOYSA-N -2 0 370.405 2.947 20 30 FFEDRL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C#N)c1 ZINC001188308853 1006529085 /nfs/dbraw/zinc/52/90/85/1006529085.db2.gz NRVHPNAKAMTIEM-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL N#Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259218630 1039809290 /nfs/dbraw/zinc/80/92/90/1039809290.db2.gz FWWGBIBCQFSJPT-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259220139 1039813762 /nfs/dbraw/zinc/81/37/62/1039813762.db2.gz WEOBWGBXARLZHP-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000177990481 510363367 /nfs/dbraw/zinc/36/33/67/510363367.db2.gz ZWOBCTNJIWHETN-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000484955332 514854566 /nfs/dbraw/zinc/85/45/66/514854566.db2.gz GILCNZUEWRGCIP-UHFFFAOYSA-N -2 0 360.391 2.846 20 30 FFEDRL C=CCOc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000468132075 515235047 /nfs/dbraw/zinc/23/50/47/515235047.db2.gz KXHYBBMUHAQKTH-UHFFFAOYSA-N -2 0 352.350 2.562 20 30 FFEDRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000494600106 515894040 /nfs/dbraw/zinc/89/40/40/515894040.db2.gz ISCZLJPFSVULFD-UHFFFAOYSA-N -2 0 372.402 2.555 20 30 FFEDRL O=C([O-])c1ccc2[nH]cc(C=Nn3c(C(F)(F)F)n[n-]c3=S)c2c1 ZINC000740191248 600180777 /nfs/dbraw/zinc/18/07/77/600180777.db2.gz WDCFFGPCAZIHRV-UHFFFAOYSA-N -2 0 355.301 2.647 20 30 FFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000830059805 601327655 /nfs/dbraw/zinc/32/76/55/601327655.db2.gz QQAIEWHUVSOEJD-UXBLZVDNSA-N -2 0 372.402 2.856 20 30 FFEDRL N#CC(C(=O)N1CCCC1)=C([O-])c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833063331 602032182 /nfs/dbraw/zinc/03/21/82/602032182.db2.gz ILOTXLHRUKDGCL-LBPRGKRZSA-N -2 0 369.299 2.740 20 30 FFEDRL O=C([O-])N1CCc2cccc(C=Nn3c(C(F)(F)F)n[n-]c3=S)c21 ZINC000832087570 603819650 /nfs/dbraw/zinc/81/96/50/603819650.db2.gz XVXSELBPPRUWRS-UHFFFAOYSA-N -2 0 357.317 2.508 20 30 FFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833402533 605598420 /nfs/dbraw/zinc/59/84/20/605598420.db2.gz OZEKFFXVNHBRMY-JTQLQIEISA-N -2 0 364.354 2.616 20 30 FFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000830655022 605831172 /nfs/dbraw/zinc/83/11/72/605831172.db2.gz GJJBMQGSVYZPJY-LBPRGKRZSA-N -2 0 373.390 2.883 20 30 FFEDRL N#CC(=C([O-])c1cnc(NC(=O)[O-])cn1)c1nc2ccccc2n1C(F)F ZINC000833961143 606012746 /nfs/dbraw/zinc/01/27/46/606012746.db2.gz OQYQQGVYAOPBAQ-MRVPVSSYSA-N -2 0 372.291 2.801 20 30 FFEDRL Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000160093556 728917389 /nfs/dbraw/zinc/91/73/89/728917389.db2.gz HOVICHXXSITQJU-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1 ZINC000779830443 738487951 /nfs/dbraw/zinc/48/79/51/738487951.db2.gz SCKSMWYLQGKRSW-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL C[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)C(=O)[N-][C@@H](C)CC(F)(F)F ZINC000865976128 731017788 /nfs/dbraw/zinc/01/77/88/731017788.db2.gz SHMBMQPQKCCQMP-WDSKDSINSA-N -2 0 358.229 2.536 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000775298117 738081843 /nfs/dbraw/zinc/08/18/43/738081843.db2.gz HRAOODUNSVMMNS-UHFFFAOYSA-N -2 0 365.794 2.851 20 30 FFEDRL O=C([O-])c1cccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)c1Cl ZINC000814723617 741859637 /nfs/dbraw/zinc/85/96/37/741859637.db2.gz KAXLGKUJOPCEKM-UHFFFAOYSA-N -2 0 350.709 2.819 20 30 FFEDRL CC(C)(C)c1[n-]n(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(=O)c1CCC#N ZINC001590573555 990212715 /nfs/dbraw/zinc/21/27/15/990212715.db2.gz ZBTCWHFEWQJGBZ-UHFFFAOYSA-N -2 0 372.381 2.997 20 30 FFEDRL C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c1)C(=O)[O-] ZINC000809154055 994430302 /nfs/dbraw/zinc/43/03/02/994430302.db2.gz MCPGEPXDYKJWHQ-XOIDGJRKSA-N -2 0 356.330 2.838 20 30 FFEDRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)cc1C(=O)[O-] ZINC001184699237 1002687554 /nfs/dbraw/zinc/68/75/54/1002687554.db2.gz ODQQSPHHMWPAKD-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL Cc1ncc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])cc1C#N ZINC000793381237 1003354010 /nfs/dbraw/zinc/35/40/10/1003354010.db2.gz MUVGZCAQFLZPKJ-UHFFFAOYSA-N -2 0 367.386 2.914 20 30 FFEDRL Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1F ZINC001192145873 1004066058 /nfs/dbraw/zinc/06/60/58/1004066058.db2.gz WBRCZNSSXJIJPI-UHFFFAOYSA-N -2 0 362.382 2.824 20 30 FFEDRL CCOc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C#N)cc1C(=O)[O-] ZINC001192639290 1004229245 /nfs/dbraw/zinc/22/92/45/1004229245.db2.gz SISFZEFIXJEOBB-UHFFFAOYSA-N -2 0 364.354 2.595 20 30 FFEDRL N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192686614 1004238485 /nfs/dbraw/zinc/23/84/85/1004238485.db2.gz WHVJLSIHUHUKHN-UHFFFAOYSA-N -2 0 372.358 2.569 20 30 FFEDRL C[C@@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)CC[C@H]1C(=O)[O-] ZINC000814847055 1006447334 /nfs/dbraw/zinc/44/73/34/1006447334.db2.gz YKYYCIDVQZLDBS-MWLCHTKSSA-N -2 0 360.418 2.576 20 30 FFEDRL N#Cc1cccc(O)c1[N-]S(=O)(=O)Cc1cccc(Br)c1 ZINC001188683546 1006675232 /nfs/dbraw/zinc/67/52/32/1006675232.db2.gz HLQMXLUNXVAZGX-UHFFFAOYSA-N -2 0 367.224 2.968 20 30 FFEDRL COc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1OCC(=O)[O-] ZINC000759091816 1024461733 /nfs/dbraw/zinc/46/17/33/1024461733.db2.gz VDYDCADMLVRJTF-GORDUTHDSA-N -2 0 373.317 2.669 20 30 FFEDRL N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260216782 1040469396 /nfs/dbraw/zinc/46/93/96/1040469396.db2.gz ZZRLTTZFTICAKV-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL COc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(Cl)cc1C(=O)[O-] ZINC000485286679 514984490 /nfs/dbraw/zinc/98/44/90/514984490.db2.gz HETJTGZVGPWITI-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1)C(=O)[O-] ZINC000504658739 515349760 /nfs/dbraw/zinc/34/97/60/515349760.db2.gz ZWWMLXYCJJFECP-LLVKDONJSA-N -2 0 362.432 2.924 20 30 FFEDRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(C(=O)[O-])c1 ZINC000547910868 516630092 /nfs/dbraw/zinc/63/00/92/516630092.db2.gz XOGRQHMAIPIYCG-UHFFFAOYSA-N -2 0 359.407 2.750 20 30 FFEDRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1)C(=O)[O-] ZINC000542732802 517706982 /nfs/dbraw/zinc/70/69/82/517706982.db2.gz GLVMHXYPYLYEOX-NSHDSACASA-N -2 0 362.382 2.761 20 30 FFEDRL CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000830635123 601881706 /nfs/dbraw/zinc/88/17/06/601881706.db2.gz HXHVGFORVUYYGE-YHYXMXQVSA-N -2 0 371.418 2.523 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1C#N ZINC000829755524 604005589 /nfs/dbraw/zinc/00/55/89/604005589.db2.gz YCZUZOQDEWPDNE-VIFPVBQESA-N -2 0 372.406 2.962 20 30 FFEDRL CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001589561979 948826012 /nfs/dbraw/zinc/82/60/12/948826012.db2.gz MGDCLSCQDPOGDZ-IRXDYDNUSA-N -2 0 350.374 2.975 20 30 FFEDRL C[C@@H](Oc1cccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c1)C(=O)[O-] ZINC000733207134 998927352 /nfs/dbraw/zinc/92/73/52/998927352.db2.gz VIFWIPFIUSGOAM-LJTDUEICSA-N -2 0 370.357 2.898 20 30 FFEDRL O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1 ZINC000806559058 1004361725 /nfs/dbraw/zinc/36/17/25/1004361725.db2.gz SYDDVMANKRJLKD-BAQGIRSFSA-N -3 0 356.330 2.840 20 30 FFEDRL N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188322908 1006513453 /nfs/dbraw/zinc/51/34/53/1006513453.db2.gz JOZJGEACMOBWSB-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL COc1cc(/C=C/C(=O)c2ccccc2[O-])c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000757476701 1023823658 /nfs/dbraw/zinc/82/36/58/1023823658.db2.gz YWQMOYUQIXQTEV-VOTSOKGWSA-N -2 0 373.317 2.669 20 30 FFEDRL COc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)ccc1OCC(=O)[O-] ZINC001248684378 1040362114 /nfs/dbraw/zinc/36/21/14/1040362114.db2.gz VMAWOEDTCMUBQU-YWEYNIOJSA-N -2 0 370.357 2.682 20 30 FFEDRL CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)cc1C(=O)[O-] ZINC000328250937 511886839 /nfs/dbraw/zinc/88/68/39/511886839.db2.gz BNYUKTZUSIIVJA-UHFFFAOYSA-N -2 0 360.391 2.628 20 30 FFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485297294 514988174 /nfs/dbraw/zinc/98/81/74/514988174.db2.gz JCYRARHRJHGMIR-UHFFFAOYSA-N -2 0 364.354 2.595 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000463531040 515536003 /nfs/dbraw/zinc/53/60/03/515536003.db2.gz FSKJHJNCEDGHTG-UHFFFAOYSA-N -2 0 360.391 2.683 20 30 FFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)c2ccccc2NC(=O)[O-])n1 ZINC000738814553 599868342 /nfs/dbraw/zinc/86/83/42/599868342.db2.gz SVPFZJKJNVJJQV-NSHDSACASA-N -2 0 359.363 2.575 20 30 FFEDRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)o1 ZINC000740187089 600424889 /nfs/dbraw/zinc/42/48/89/600424889.db2.gz FUNROYXHNYEWMR-UHFFFAOYSA-N -2 0 368.370 2.573 20 30 FFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000779847814 605164209 /nfs/dbraw/zinc/16/42/09/605164209.db2.gz DXJJBQDMHZWYID-SNVBAGLBSA-N -2 0 364.354 2.616 20 30 FFEDRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC000758168901 736458012 /nfs/dbraw/zinc/45/80/12/736458012.db2.gz DUWYPYKEUCLGCS-NSHDSACASA-N -2 0 362.382 2.761 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000775296121 738081376 /nfs/dbraw/zinc/08/13/76/738081376.db2.gz SAHYSTMLUUONCA-UHFFFAOYSA-N -2 0 365.794 2.851 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000775298196 738081600 /nfs/dbraw/zinc/08/16/00/738081600.db2.gz LBHLYWQCYPQDNY-UHFFFAOYSA-N -2 0 351.405 2.568 20 30 FFEDRL COc1cc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc([N+](=O)[O-])c1[O-] ZINC000013345231 957031187 /nfs/dbraw/zinc/03/11/87/957031187.db2.gz CQWSTAVDCOFDKP-FARCUNLSSA-N -2 0 373.317 2.669 20 30 FFEDRL CC[C@@](NC(=O)c1[n-]c(=O)c(C#N)cc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595259104 980262037 /nfs/dbraw/zinc/26/20/37/980262037.db2.gz OPMSHLLNXYIGRA-SFHVURJKSA-N -2 0 373.796 2.741 20 30 FFEDRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001185918227 1003132116 /nfs/dbraw/zinc/13/21/16/1003132116.db2.gz MQMISQGGDDTSLD-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL COC(=O)c1cc(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)ccc1[O-] ZINC001197203980 1004121092 /nfs/dbraw/zinc/12/10/92/1004121092.db2.gz CJQDQOWQQKEBGP-UHFFFAOYSA-N -2 0 366.420 2.530 20 30 FFEDRL N#Cc1ccc([O-])c([N-]S(=O)(=O)Cc2cccc(Br)c2)c1 ZINC001188681986 1006673911 /nfs/dbraw/zinc/67/39/11/1006673911.db2.gz XIFCQSDNQIIPTQ-UHFFFAOYSA-N -2 0 367.224 2.968 20 30 FFEDRL COc1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc([N+](=O)[O-])c1[O-] ZINC000013357782 1021447543 /nfs/dbraw/zinc/44/75/43/1021447543.db2.gz OEVZARJIHNMLEH-AATRIKPKSA-N -2 0 373.317 2.669 20 30 FFEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2ccc(-n3cncn3)c(F)c2)c1 ZINC000757474450 1023823118 /nfs/dbraw/zinc/82/31/18/1023823118.db2.gz TVXLWMCXZQWZPC-DJWKRKHSSA-N -2 0 353.309 2.706 20 30 FFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c(O)c1 ZINC001259220611 1039811774 /nfs/dbraw/zinc/81/17/74/1039811774.db2.gz OJPGWPRSDGRNAW-UHFFFAOYSA-N -2 0 370.745 2.555 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c(Cl)c1 ZINC000391191464 512915546 /nfs/dbraw/zinc/91/55/46/512915546.db2.gz RNVUTPVWPWEQGO-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000467747543 515101904 /nfs/dbraw/zinc/10/19/04/515101904.db2.gz UDQOETRTJLKLFK-UHFFFAOYSA-N -2 0 363.395 2.781 20 30 FFEDRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512725393 516336540 /nfs/dbraw/zinc/33/65/40/516336540.db2.gz NDOMMCNOSIIETA-UHFFFAOYSA-N -2 0 364.354 2.513 20 30 FFEDRL C[C@H](Oc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1)C(=O)[O-] ZINC000827884325 602112667 /nfs/dbraw/zinc/11/26/67/602112667.db2.gz DUMXMCZINMKWTM-VUQUXZKVSA-N -3 0 356.330 2.838 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C#N ZINC000832770800 602322596 /nfs/dbraw/zinc/32/25/96/602322596.db2.gz HNBGEFYSFMLVGY-YGRLFVJLSA-N -2 0 371.418 2.573 20 30 FFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833402366 605597970 /nfs/dbraw/zinc/59/79/70/605597970.db2.gz KKODMEWTSYXNFH-SECBINFHSA-N -2 0 352.393 2.538 20 30 FFEDRL CN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-] ZINC000739717415 735057805 /nfs/dbraw/zinc/05/78/05/735057805.db2.gz YTZMMYDCHCDSAV-UHFFFAOYSA-N -2 0 363.370 2.608 20 30 FFEDRL [O-]c1c(Br)cccc1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000915945936 737666521 /nfs/dbraw/zinc/66/65/21/737666521.db2.gz XGJCOIBEIABEBS-UHFFFAOYSA-N -2 0 367.150 2.936 20 30 FFEDRL Cc1nn(C)c(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])c1Br ZINC000790601973 739473586 /nfs/dbraw/zinc/47/35/86/739473586.db2.gz YSMBFPYJSJEGLE-GQCTYLIASA-N -2 0 365.183 2.791 20 30 FFEDRL CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001589561975 948825953 /nfs/dbraw/zinc/82/59/53/948825953.db2.gz MGDCLSCQDPOGDZ-DLBZAZTESA-N -2 0 350.374 2.975 20 30 FFEDRL N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(OC(F)(F)C(=O)[O-])cc1 ZINC001116007663 1032063227 /nfs/dbraw/zinc/06/32/27/1032063227.db2.gz RJSYKPPHVHCHPX-XVNBXDOJSA-N -2 0 360.272 2.878 20 30 FFEDRL CC[C@H](NC(=O)C(C#N)=C([O-])c1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC001595232871 980128131 /nfs/dbraw/zinc/12/81/31/980128131.db2.gz KXKMXJHOLVSXHQ-GJZGRUSLSA-N -2 0 354.362 2.876 20 30 FFEDRL CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(=O)[O-])no2)cc1 ZINC001595797489 982606862 /nfs/dbraw/zinc/60/68/62/982606862.db2.gz WOZNKNGEOHPLKL-ZDUSSCGKSA-N -2 0 355.350 2.677 20 30 FFEDRL CCc1cc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cc(CC)c1C#N ZINC001148926881 1001241909 /nfs/dbraw/zinc/24/19/09/1001241909.db2.gz ZCENJWBMVCOOPL-UHFFFAOYSA-N -2 0 374.418 2.888 20 30 FFEDRL COc1ccc(S(=O)(=O)Nc2cc(C#N)c(C)cc2C)cc1C(=O)[O-] ZINC001185314943 1002910248 /nfs/dbraw/zinc/91/02/48/1002910248.db2.gz QMGUKONICGTLLO-UHFFFAOYSA-N -2 0 360.391 2.683 20 30 FFEDRL CCOc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2C)cc1C(=O)[O-] ZINC001192601214 1004212666 /nfs/dbraw/zinc/21/26/66/1004212666.db2.gz ADBGXZORXYAYHI-UHFFFAOYSA-N -2 0 360.391 2.764 20 30 FFEDRL COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])cc([N+](=O)[O-])c1[O-] ZINC000806559220 1004361846 /nfs/dbraw/zinc/36/18/46/1004361846.db2.gz WZDDYBKAEIYNPS-GORDUTHDSA-N -3 0 359.290 2.609 20 30 FFEDRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1C#N ZINC001195236297 1004913720 /nfs/dbraw/zinc/91/37/20/1004913720.db2.gz UHZCVPAUOLWIOY-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#Cc1ccc([O-])c(NC(=O)CCCC(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000748411532 1017202972 /nfs/dbraw/zinc/20/29/72/1017202972.db2.gz RAMNJRIKTVZIHV-UHFFFAOYSA-N -2 0 364.361 2.589 20 30 FFEDRL COc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc([N+](=O)[O-])c1[O-] ZINC000759089593 1024460258 /nfs/dbraw/zinc/46/02/58/1024460258.db2.gz GZHRSCQAFMNTMS-RQOWECAXSA-N -2 0 360.278 2.819 20 30 FFEDRL N#Cc1ccc(F)c(-c2noc(-c3ccccc3OP(=O)([O-])[O-])n2)c1 ZINC001216744890 1042111637 /nfs/dbraw/zinc/11/16/37/1042111637.db2.gz KBVLHLUJUKCWAN-UHFFFAOYSA-N -2 0 361.225 2.886 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c(Cl)c1 ZINC000181117925 510279114 /nfs/dbraw/zinc/27/91/14/510279114.db2.gz FDOXEEGPZMCVSP-UHFFFAOYSA-N -2 0 350.783 2.640 20 30 FFEDRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000323438465 511829800 /nfs/dbraw/zinc/82/98/00/511829800.db2.gz RXGPOFJRKPQPTN-SNVBAGLBSA-N -2 0 350.421 2.999 20 30 FFEDRL CCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)cc1C(=O)[O-] ZINC000440828420 513418239 /nfs/dbraw/zinc/41/82/39/513418239.db2.gz BZWNWWQKKAVDTE-UHFFFAOYSA-N -2 0 360.391 2.628 20 30 FFEDRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000547932775 516640102 /nfs/dbraw/zinc/64/01/02/516640102.db2.gz MZBYDSIHKYKXDY-UHFFFAOYSA-N -2 0 366.439 2.998 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])c(F)c1 ZINC000556702953 517582781 /nfs/dbraw/zinc/58/27/81/517582781.db2.gz GWZYJPVFPZOCBE-SMDDNHRTSA-N -2 0 372.393 2.538 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)NCCC2(CC(=O)[O-])CCCCC2)c(F)c1 ZINC000573206323 518555839 /nfs/dbraw/zinc/55/58/39/518555839.db2.gz LWMPQFJYDLVLGB-UHFFFAOYSA-N -2 0 368.430 2.791 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000575055072 519475439 /nfs/dbraw/zinc/47/54/39/519475439.db2.gz TZJSTRCWHXOBIU-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000737154573 600056486 /nfs/dbraw/zinc/05/64/86/600056486.db2.gz DMSACENNVUKWDL-NSHDSACASA-N -2 0 359.363 2.900 20 30 FFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000779848324 605598213 /nfs/dbraw/zinc/59/82/13/605598213.db2.gz LVFPQPGGBGBUBZ-SECBINFHSA-N -2 0 352.393 2.538 20 30 FFEDRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000779848074 738489975 /nfs/dbraw/zinc/48/99/75/738489975.db2.gz KQTORIQJFRFNLK-LBPRGKRZSA-N -2 0 360.391 2.785 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1CC ZINC000775296094 738080738 /nfs/dbraw/zinc/08/07/38/738080738.db2.gz RHDWASNTAHMDND-UHFFFAOYSA-N -2 0 359.403 2.760 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000775298276 738081591 /nfs/dbraw/zinc/08/15/91/738081591.db2.gz NYNXXRNHSOJIJX-UHFFFAOYSA-N -2 0 359.403 2.760 20 30 FFEDRL CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595936660 983078000 /nfs/dbraw/zinc/07/80/00/983078000.db2.gz KJLFECZNQLCYJV-UHFFFAOYSA-N -2 0 363.395 2.781 20 30 FFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001597055721 986533647 /nfs/dbraw/zinc/53/36/47/986533647.db2.gz GXDXISMHCJXPDB-UHFFFAOYSA-N -2 0 364.379 2.666 20 30 FFEDRL C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)c1)C(=O)[O-] ZINC000809154054 994429838 /nfs/dbraw/zinc/42/98/38/994429838.db2.gz MCPGEPXDYKJWHQ-OKPNEXGHSA-N -2 0 356.330 2.838 20 30 FFEDRL C[C@H](Oc1cccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c1)C(=O)[O-] ZINC000746682551 1001691952 /nfs/dbraw/zinc/69/19/52/1001691952.db2.gz CBQAVPPEUBQYMM-YXVBKTCISA-N -2 0 370.357 2.898 20 30 FFEDRL N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187588910 1006144996 /nfs/dbraw/zinc/14/49/96/1006144996.db2.gz BWNSSXGYGVTFIO-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL C[C@@H]1C(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)CC[C@@H]1CC(=O)[O-] ZINC000814847061 1006448071 /nfs/dbraw/zinc/44/80/71/1006448071.db2.gz YPDJRMSBRODBLX-VHSXEESVSA-N -2 0 360.418 2.576 20 30 FFEDRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c1 ZINC001116373165 1021183617 /nfs/dbraw/zinc/18/36/17/1021183617.db2.gz VOCWAUYDWUBAHK-UHFFFAOYSA-N -2 0 364.354 2.536 20 30 FFEDRL COc1c(O)ccc2c(=O)c3c(O[C@H]4C=CC(=O)C4)cc(O)cc3oc21 ZINC001234751941 1037169172 /nfs/dbraw/zinc/16/91/72/1037169172.db2.gz RHGXXCAEQYWHQH-NSHDSACASA-N -2 0 354.314 2.642 20 30 FFEDRL Cc1cnc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259213602 1039806809 /nfs/dbraw/zinc/80/68/09/1039806809.db2.gz CMVSKPGTOJLWEE-UHFFFAOYSA-N -2 0 369.761 2.553 20 30 FFEDRL N#CC1(c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)nc2)CCOCC1 ZINC001242160353 1044691828 /nfs/dbraw/zinc/69/18/28/1044691828.db2.gz IRWJFKOQLDSTID-UHFFFAOYSA-N -2 0 352.346 2.717 20 30 FFEDRL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)c1C#N ZINC000440837186 513419715 /nfs/dbraw/zinc/41/97/15/513419715.db2.gz YOLIJKFJBBNZKW-UHFFFAOYSA-N -2 0 372.402 2.715 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000463524926 515536138 /nfs/dbraw/zinc/53/61/38/515536138.db2.gz GIOHKIWPMOSUHZ-UHFFFAOYSA-N -2 0 371.374 2.547 20 30 FFEDRL Cc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(C(=O)[O-])cc1C ZINC000478691646 515926051 /nfs/dbraw/zinc/92/60/51/515926051.db2.gz DGVBLUWDLDODPW-UHFFFAOYSA-N -2 0 366.345 2.952 20 30 FFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737194122 600097669 /nfs/dbraw/zinc/09/76/69/600097669.db2.gz APRVWEQQQSDHKH-UHFFFAOYSA-N -2 0 364.354 2.595 20 30 FFEDRL N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000739140174 600237377 /nfs/dbraw/zinc/23/73/77/600237377.db2.gz PSUIRTDJBZJVDP-UHFFFAOYSA-N -2 0 368.317 2.659 20 30 FFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000736088759 600900455 /nfs/dbraw/zinc/90/04/55/600900455.db2.gz CZULYYCONQEGGX-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000831946304 601492341 /nfs/dbraw/zinc/49/23/41/601492341.db2.gz SQVSNFZPASCQCB-UHFFFAOYSA-N -2 0 372.811 2.781 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c(F)c1 ZINC000833069632 601858627 /nfs/dbraw/zinc/85/86/27/601858627.db2.gz JPXJNOBJMWSGDM-UHFFFAOYSA-N -2 0 353.306 2.727 20 30 FFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833402330 605598441 /nfs/dbraw/zinc/59/84/41/605598441.db2.gz JCGBWRIKWSMQKJ-ZWXCPPHNSA-N -2 0 372.402 2.876 20 30 FFEDRL N#CC(=C([O-])c1cnc(NC(=O)[O-])cn1)c1nc(-c2ccncc2)cs1 ZINC000833962110 606012674 /nfs/dbraw/zinc/01/26/74/606012674.db2.gz XLVIGDZMFCZXFR-JTQLQIEISA-N -2 0 366.362 2.575 20 30 FFEDRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000779849538 738489926 /nfs/dbraw/zinc/48/99/26/738489926.db2.gz WFLHMGUJFLHAGA-NSHDSACASA-N -2 0 360.391 2.785 20 30 FFEDRL O=C([O-])Cn1cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)c2ccccc21 ZINC000799866932 740459098 /nfs/dbraw/zinc/45/90/98/740459098.db2.gz AJOJHWNZFCIJDC-UHFFFAOYSA-N -2 0 369.328 2.507 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1C#N ZINC001599804665 988234911 /nfs/dbraw/zinc/23/49/11/988234911.db2.gz NCSYDSGVKXQYNR-UHFFFAOYSA-N -2 0 363.439 2.536 20 30 FFEDRL COc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])ccc1OCCC(=O)[O-] ZINC000763374548 989800363 /nfs/dbraw/zinc/80/03/63/989800363.db2.gz UCXPGBJALHSSKB-KXFIGUGUSA-N -2 0 358.346 2.856 20 30 FFEDRL CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC001192109714 1004055339 /nfs/dbraw/zinc/05/53/39/1004055339.db2.gz KLUASPGUYQZMSL-UHFFFAOYSA-N -2 0 373.434 2.701 20 30 FFEDRL Cc1cnc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC001193972019 1004622376 /nfs/dbraw/zinc/62/23/76/1004622376.db2.gz SSYWMUQYOFLKNI-UHFFFAOYSA-N -2 0 369.761 2.553 20 30 FFEDRL N#CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195236295 1004913642 /nfs/dbraw/zinc/91/36/42/1004913642.db2.gz UGLXCJSVMIAZFY-UHFFFAOYSA-N -2 0 352.318 2.530 20 30 FFEDRL Cc1cc(C#N)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195244829 1004922510 /nfs/dbraw/zinc/92/25/10/1004922510.db2.gz MNZHEBFHUYJFNT-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL COc1cc(C(=O)[O-])ccc1N=NC(C)c1cccc(OCC(=O)[O-])c1 ZINC000756898710 1023766352 /nfs/dbraw/zinc/76/63/52/1023766352.db2.gz AEGPWURFBJFCAO-UHFFFAOYSA-N -2 0 358.350 2.693 20 30 FFEDRL C=C[C@@H](C)Oc1c([O-])cc2c(=O)oc3c(O)c([O-])cc4c(=O)oc1c2c43 ZINC001227579374 1035616453 /nfs/dbraw/zinc/61/64/53/1035616453.db2.gz NFOLYZUHKWQDJK-ZCFIWIBFSA-N -2 0 356.286 2.561 20 30 FFEDRL N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cs1 ZINC001259214620 1039809588 /nfs/dbraw/zinc/80/95/88/1039809588.db2.gz ZDWTUJWMZVTFRN-UHFFFAOYSA-N -2 0 360.775 2.911 20 30 FFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000328429796 511888793 /nfs/dbraw/zinc/88/87/93/511888793.db2.gz USVIYUQIMXTXPQ-UHFFFAOYSA-N -2 0 360.391 2.683 20 30 FFEDRL CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc(Cl)c2[O-])n1 ZINC000555531282 516956841 /nfs/dbraw/zinc/95/68/41/516956841.db2.gz ZOPSLTSFTBDMKC-UHFFFAOYSA-N -2 0 354.819 2.670 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c(F)c1 ZINC000739130375 600544554 /nfs/dbraw/zinc/54/45/54/600544554.db2.gz SULMUBQRDPUBDD-UHFFFAOYSA-N -2 0 353.306 2.727 20 30 FFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000736076445 600899611 /nfs/dbraw/zinc/89/96/11/600899611.db2.gz PTJVXDLHNSKEJE-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000830520017 601859999 /nfs/dbraw/zinc/85/99/99/601859999.db2.gz ZMPKAQNLUUQZJS-UHFFFAOYSA-N -2 0 367.333 2.751 20 30 FFEDRL N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740322143 602646398 /nfs/dbraw/zinc/64/63/98/602646398.db2.gz QBDBNOQGUUHPKX-UHFFFAOYSA-N -2 0 357.391 2.790 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])c(F)c1 ZINC000831141719 604015076 /nfs/dbraw/zinc/01/50/76/604015076.db2.gz LLRIPJUUTBFKLE-UHFFFAOYSA-N -2 0 361.354 2.539 20 30 FFEDRL C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833370955 604769320 /nfs/dbraw/zinc/76/93/20/604769320.db2.gz JPOYVQUVXNFSRS-NSHDSACASA-N -2 0 365.432 2.611 20 30 FFEDRL Cc1oc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1C(=O)[O-] ZINC000833029946 605010069 /nfs/dbraw/zinc/01/00/69/605010069.db2.gz OLZUGGAPTFWQKZ-UHFFFAOYSA-N -2 0 364.379 2.746 20 30 FFEDRL Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000833913850 605971347 /nfs/dbraw/zinc/97/13/47/605971347.db2.gz LPHVEECFSCLGMH-SECBINFHSA-N -2 0 355.379 2.918 20 30 FFEDRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000779848073 738489881 /nfs/dbraw/zinc/48/98/81/738489881.db2.gz KQTORIQJFRFNLK-GFCCVEGCSA-N -2 0 360.391 2.785 20 30 FFEDRL COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)ccc1OCC(=O)[O-] ZINC000730590601 734641951 /nfs/dbraw/zinc/64/19/51/734641951.db2.gz VLUBFNFMVBVOEK-RQOWECAXSA-N -2 0 362.359 2.814 20 30 FFEDRL COc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1OCCC(=O)[O-] ZINC000783769892 980577485 /nfs/dbraw/zinc/57/74/85/980577485.db2.gz JJADLFXDWFAGTP-UHFFFAOYSA-N -2 0 358.350 2.693 20 30 FFEDRL N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195236206 1004913675 /nfs/dbraw/zinc/91/36/75/1004913675.db2.gz OEOWCCHZOYXRSJ-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195237862 1004930811 /nfs/dbraw/zinc/93/08/11/1004930811.db2.gz LEQRPZWEYMHZRO-UHFFFAOYSA-N -2 0 374.271 2.614 20 30 FFEDRL C[C@H](C#N)c1ccc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)cc1 ZINC001189933776 1007377543 /nfs/dbraw/zinc/37/75/43/1007377543.db2.gz KQDUIGFASYCJNL-SNVBAGLBSA-N -2 0 374.374 2.511 20 30 FFEDRL CCCCCCCCCCCCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224583955 1033943075 /nfs/dbraw/zinc/94/30/75/1033943075.db2.gz AWFXTZGREOJJOD-ZBFHGGJFSA-N -2 0 360.447 2.987 20 30 FFEDRL CCCCCCCCCCCCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224583953 1033943745 /nfs/dbraw/zinc/94/37/45/1033943745.db2.gz AWFXTZGREOJJOD-GOEBONIOSA-N -2 0 360.447 2.987 20 30 FFEDRL N#CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1F ZINC001260216917 1040469576 /nfs/dbraw/zinc/46/95/76/1040469576.db2.gz JEUBUJPJJFDQTQ-UHFFFAOYSA-N -2 0 352.318 2.530 20 30 FFEDRL C=CCCC[C@@H](NC(=O)c1cc(Br)c(F)cc1[O-])C(=O)[O-] ZINC001588793196 1080198956 /nfs/dbraw/zinc/19/89/56/1080198956.db2.gz UCZGXQOTMRYTBM-LLVKDONJSA-N -2 0 360.179 2.833 20 30 FFEDRL Oc1ccc(Br)c(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1 ZINC000254819032 509910099 /nfs/dbraw/zinc/91/00/99/509910099.db2.gz OOKDCMWGQIXJLD-UHFFFAOYSA-N -2 0 367.150 2.936 20 30 FFEDRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000327471399 511876996 /nfs/dbraw/zinc/87/69/96/511876996.db2.gz XWBUZSDQTIQYNM-UHFFFAOYSA-N -2 0 374.296 2.978 20 30 FFEDRL CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000439624922 513153781 /nfs/dbraw/zinc/15/37/81/513153781.db2.gz XPMDYNUXHAYMKJ-UHFFFAOYSA-N -2 0 351.409 2.551 20 30 FFEDRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000462101183 514883808 /nfs/dbraw/zinc/88/38/08/514883808.db2.gz KVFFZHAFCCAGAF-UHFFFAOYSA-N -2 0 364.354 2.595 20 30 FFEDRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000505127540 515452835 /nfs/dbraw/zinc/45/28/35/515452835.db2.gz CYZVCIBMNQOLNU-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000463789563 515617430 /nfs/dbraw/zinc/61/74/30/515617430.db2.gz KLUGZQBPRYJANX-GFCCVEGCSA-N -2 0 374.418 2.631 20 30 FFEDRL Cc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc(C(=O)[O-])c1 ZINC000507597486 516256596 /nfs/dbraw/zinc/25/65/96/516256596.db2.gz FAHXXDUQHRSZBK-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000535137077 518156571 /nfs/dbraw/zinc/15/65/71/518156571.db2.gz GPWWMTLLWTXJLE-UHFFFAOYSA-N -2 0 364.354 2.513 20 30 FFEDRL C#CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000730996641 734661474 /nfs/dbraw/zinc/66/14/74/734661474.db2.gz URLLOLXAICLCFB-UHFFFAOYSA-N -2 0 351.405 2.568 20 30 FFEDRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1 ZINC000753773978 736093683 /nfs/dbraw/zinc/09/36/83/736093683.db2.gz APPXDYPVGBIJJJ-UHFFFAOYSA-N -2 0 364.354 2.536 20 30 FFEDRL CCc1nc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)sc1C(=O)[O-] ZINC001597685535 988837445 /nfs/dbraw/zinc/83/74/45/988837445.db2.gz PTZPTWXXZGZPGR-UHFFFAOYSA-N -2 0 371.827 2.730 20 30 FFEDRL CCCCCCCCCCCCS(=O)(=O)NCCOP(=O)([O-])[O-] ZINC001187723902 1006217261 /nfs/dbraw/zinc/21/72/61/1006217261.db2.gz DTSBZTCCLMYYDB-UHFFFAOYSA-N -2 0 373.452 2.936 20 30 FFEDRL COc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1OCC#N ZINC000757475176 1023823591 /nfs/dbraw/zinc/82/35/91/1023823591.db2.gz ZQPRHVRRMACCDW-DJWKRKHSSA-N -2 0 353.330 2.897 20 30 FFEDRL C=C[C@@H](CC)Oc1cc(S(=O)(=O)[O-])cc2cccc(S(=O)(=O)[O-])c21 ZINC001227553545 1035608666 /nfs/dbraw/zinc/60/86/66/1035608666.db2.gz DMSXQZUIZKKXOW-NSHDSACASA-N -2 0 372.420 2.677 20 30 FFEDRL N#Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)sc2c1CCCC2 ZINC001260220905 1040471431 /nfs/dbraw/zinc/47/14/31/1040471431.db2.gz UWNFYFNHIJULTD-UHFFFAOYSA-N -2 0 362.432 2.998 20 30 FFEDRL COc1cc(C#N)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1OC(C)=O ZINC001242161542 1044691860 /nfs/dbraw/zinc/69/18/60/1044691860.db2.gz ZAFAEEPSHFJCMM-UHFFFAOYSA-N -2 0 355.302 2.556 20 30 FFEDRL Cc1cc(C(=O)Nc2ccc(C3CC3)c(C#N)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001558118558 1075945309 /nfs/dbraw/zinc/94/53/09/1075945309.db2.gz NGPFCPOZBIHNLW-UHFFFAOYSA-N -2 0 361.361 2.746 20 30 FFEDRL CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(C(=O)[O-])cs2)o1 ZINC001588781327 1080193217 /nfs/dbraw/zinc/19/32/17/1080193217.db2.gz UPROHALFQYMHED-UHFFFAOYSA-N -2 0 361.387 2.574 20 30 FFEDRL Cc1nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)sc1SCC#N ZINC000738364647 600055734 /nfs/dbraw/zinc/05/57/34/600055734.db2.gz VJRIQROWUGHAGS-UHFFFAOYSA-N -2 0 369.449 2.566 20 30 FFEDRL C=CCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000825671306 601206582 /nfs/dbraw/zinc/20/65/82/601206582.db2.gz LINKIMYCOZAZPP-UHFFFAOYSA-N -2 0 365.329 2.565 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c(F)c1 ZINC000833069870 601860491 /nfs/dbraw/zinc/86/04/91/601860491.db2.gz XKPFNAARKFHALF-UHFFFAOYSA-N -2 0 353.306 2.727 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C#N ZINC000832770797 602322646 /nfs/dbraw/zinc/32/26/46/602322646.db2.gz HNBGEFYSFMLVGY-HZMBPMFUSA-N -2 0 371.418 2.573 20 30 FFEDRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000779843629 605597032 /nfs/dbraw/zinc/59/70/32/605597032.db2.gz BDINKFLQMSITQU-GFCCVEGCSA-N -2 0 360.391 2.785 20 30 FFEDRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC001597791102 989317955 /nfs/dbraw/zinc/31/79/55/989317955.db2.gz KSZDJONJUPXSHC-JTQLQIEISA-N -2 0 364.379 2.632 20 30 FFEDRL O=C([O-])COc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000916156952 989751184 /nfs/dbraw/zinc/75/11/84/989751184.db2.gz JACSZLNVOOHHSZ-TWGQIWQCSA-N -2 0 356.330 2.510 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)s1 ZINC001321366151 1045641297 /nfs/dbraw/zinc/64/12/97/1045641297.db2.gz DXHUXIMFPJEMMU-UHFFFAOYSA-N -2 0 359.226 2.889 20 30 FFEDRL N#Cc1ccc(F)c(F)c1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189889317 1007358564 /nfs/dbraw/zinc/35/85/64/1007358564.db2.gz RSBDQCIFNBTPIU-UHFFFAOYSA-N -2 0 354.205 2.560 20 30 FFEDRL C=C[C@H](C)Oc1c([O-])cc2c(=O)oc3c(O)c([O-])cc4c(=O)oc1c2c43 ZINC001227579373 1035615902 /nfs/dbraw/zinc/61/59/02/1035615902.db2.gz NFOLYZUHKWQDJK-LURJTMIESA-N -2 0 356.286 2.561 20 30 FFEDRL C=CC[C@@H](C)Oc1c([O-])cc2c(=O)oc3c(O)c([O-])cc4c(=O)oc1c2c43 ZINC001227579015 1035616351 /nfs/dbraw/zinc/61/63/51/1035616351.db2.gz HESYJPHARHQSMA-SSDOTTSWSA-N -2 0 370.313 2.951 20 30 FFEDRL N#CC(C#N)c1nc2ccccc2nc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160257 1044691555 /nfs/dbraw/zinc/69/15/55/1044691555.db2.gz GPOHOXBBDYYAIK-UHFFFAOYSA-N -2 0 358.313 2.824 20 30 FFEDRL CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000468826560 515538560 /nfs/dbraw/zinc/53/85/60/515538560.db2.gz FEXATWPALAIQPF-UHFFFAOYSA-N -2 0 363.370 2.628 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c(F)c1 ZINC000548261413 516856082 /nfs/dbraw/zinc/85/60/82/516856082.db2.gz NTCVMLDDNWSCBB-UHFFFAOYSA-N -2 0 374.271 2.614 20 30 FFEDRL O=C([O-])N1CCCc2cccc(C=Nn3c(C(F)(F)F)n[n-]c3=S)c21 ZINC000832018359 604828346 /nfs/dbraw/zinc/82/83/46/604828346.db2.gz IHZYKWBUPOJJAM-UHFFFAOYSA-N -2 0 371.344 2.898 20 30 FFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000745978571 735456008 /nfs/dbraw/zinc/45/60/08/735456008.db2.gz YAEUCRDGBQAHNH-UHFFFAOYSA-N -2 0 364.354 2.595 20 30 FFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000779846098 738488985 /nfs/dbraw/zinc/48/89/85/738488985.db2.gz VTFCGKPLYPJJJU-JTQLQIEISA-N -2 0 364.354 2.616 20 30 FFEDRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1F ZINC000749144242 735697920 /nfs/dbraw/zinc/69/79/20/735697920.db2.gz VRJHIZLLQYSYCC-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001591759318 975842007 /nfs/dbraw/zinc/84/20/07/975842007.db2.gz ZBHNANDGJLQICA-UHFFFAOYSA-N -2 0 366.420 2.906 20 30 FFEDRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC001597791103 989317906 /nfs/dbraw/zinc/31/79/06/989317906.db2.gz KSZDJONJUPXSHC-SNVBAGLBSA-N -2 0 364.379 2.632 20 30 FFEDRL O=C([O-])COc1ccc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806560181 1004361917 /nfs/dbraw/zinc/36/19/17/1004361917.db2.gz IZEARUFFWOUOGU-VEMDQMBVSA-N -2 0 352.342 2.988 20 30 FFEDRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C#N ZINC001195227665 1004920536 /nfs/dbraw/zinc/92/05/36/1004920536.db2.gz UUAIAMZHGCSYOU-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL CC(C)(C#N)c1ccc(NC(=O)c2ccccc2OP(=O)([O-])[O-])cn1 ZINC001189870927 1007316927 /nfs/dbraw/zinc/31/69/27/1007316927.db2.gz IFFZUVMGHAKFDB-UHFFFAOYSA-N -2 0 361.294 2.607 20 30 FFEDRL CC[C@H](NN=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1)C(=O)[O-] ZINC001117679294 1021812535 /nfs/dbraw/zinc/81/25/35/1021812535.db2.gz PDGUONZGTVNPJZ-KRWDZBQOSA-N -2 0 356.378 2.751 20 30 FFEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000177990717 510363412 /nfs/dbraw/zinc/36/34/12/510363412.db2.gz AVMNIFQBMKZTFQ-UHFFFAOYSA-N -2 0 350.783 2.640 20 30 FFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000326642293 511861683 /nfs/dbraw/zinc/86/16/83/511861683.db2.gz UVNTZSSXTKUDEN-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC000416957392 514066415 /nfs/dbraw/zinc/06/64/15/514066415.db2.gz NXRQFYUBOMRDAS-ZETCQYMHSA-N -2 0 353.625 2.852 20 30 FFEDRL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(C(=O)[O-])c1 ZINC000466349501 514617877 /nfs/dbraw/zinc/61/78/77/514617877.db2.gz HTYUPJUGXBEUDU-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)CCC(C)(C)C#N ZINC000559642944 517360159 /nfs/dbraw/zinc/36/01/59/517360159.db2.gz YYPQOTCQEAEJHO-UHFFFAOYSA-N -2 0 354.428 2.854 20 30 FFEDRL C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000736090271 599838709 /nfs/dbraw/zinc/83/87/09/599838709.db2.gz YGDMQIRCDQRBDB-UHFFFAOYSA-N -2 0 365.794 2.851 20 30 FFEDRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000825449386 603402339 /nfs/dbraw/zinc/40/23/39/603402339.db2.gz PKBMJRKUVGYFEC-SNVBAGLBSA-N -2 0 363.370 2.827 20 30 FFEDRL Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1NC(=O)[O-] ZINC000830176132 604219954 /nfs/dbraw/zinc/21/99/54/604219954.db2.gz LXFQEXIAFIVPBH-HNNXBMFYSA-N -2 0 351.362 2.724 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000775295181 738080993 /nfs/dbraw/zinc/08/09/93/738080993.db2.gz FEQIEQFRNRINMC-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])cs1 ZINC000806559025 741069093 /nfs/dbraw/zinc/06/90/93/741069093.db2.gz SBAWGPPKPVQGGE-FNORWQNLSA-N -2 0 360.391 2.816 20 30 FFEDRL Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001594274073 957701421 /nfs/dbraw/zinc/70/14/21/957701421.db2.gz OWTFCKXCOFGQDW-CYBMUJFWSA-N -2 0 365.389 2.651 20 30 FFEDRL C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c1)C(=O)[O-] ZINC000809154053 994429663 /nfs/dbraw/zinc/42/96/63/994429663.db2.gz MCPGEPXDYKJWHQ-JPVGGKMYSA-N -2 0 356.330 2.838 20 30 FFEDRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001599476569 998542621 /nfs/dbraw/zinc/54/26/21/998542621.db2.gz FLBPBRCLYAPZBS-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001599477030 998549461 /nfs/dbraw/zinc/54/94/61/998549461.db2.gz UOJXNYUWFGJSDO-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL Cc1ccc(S(=O)(=O)[N-]c2c(C#N)ccc(F)c2F)cc1C(=O)[O-] ZINC001184703157 1002686788 /nfs/dbraw/zinc/68/67/88/1002686788.db2.gz JHDQOEYUZYYLER-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192140812 1004079086 /nfs/dbraw/zinc/07/90/86/1004079086.db2.gz IZTLUCSALLOXAH-UHFFFAOYSA-N -2 0 369.402 2.556 20 30 FFEDRL COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])cc2c1OCCO2 ZINC000806561618 1004362922 /nfs/dbraw/zinc/36/29/22/1004362922.db2.gz WVVNGFQKRIITQV-DJWKRKHSSA-N -2 0 356.330 2.766 20 30 FFEDRL N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188282034 1006501926 /nfs/dbraw/zinc/50/19/26/1006501926.db2.gz DRPDPRRBHVDRHG-UHFFFAOYSA-N -2 0 372.189 2.759 20 30 FFEDRL N#Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188303086 1006524034 /nfs/dbraw/zinc/52/40/34/1006524034.db2.gz HWDJQKZUALMTHN-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL COc1cc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1[O-] ZINC000749591200 1021011148 /nfs/dbraw/zinc/01/11/48/1021011148.db2.gz RRCUBTLGMLAEPP-RQOWECAXSA-N -2 0 360.278 2.819 20 30 FFEDRL COc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc([N+](=O)[O-])c1[O-] ZINC000759089592 1024459633 /nfs/dbraw/zinc/45/96/33/1024459633.db2.gz GZHRSCQAFMNTMS-DUXPYHPUSA-N -2 0 360.278 2.819 20 30 FFEDRL C#C[C@H](C)Oc1cc([O-])cc2oc(-c3cc(O)c(O)c(O)c3)cc(=O)c12 ZINC001229440222 1036674526 /nfs/dbraw/zinc/67/45/26/1036674526.db2.gz DXLIRBGQQAJGMK-VIFPVBQESA-N -2 0 354.314 2.683 20 30 FFEDRL C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259219304 1039809812 /nfs/dbraw/zinc/80/98/12/1039809812.db2.gz XAIXILUSRJDNDY-UHFFFAOYSA-N -2 0 353.758 2.959 20 30 FFEDRL C#Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259220339 1039814110 /nfs/dbraw/zinc/81/41/10/1039814110.db2.gz DELPUXAWXYPJNF-UHFFFAOYSA-N -2 0 353.758 2.959 20 30 FFEDRL CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(F)c2O)C1=O ZINC001467662618 1063812648 /nfs/dbraw/zinc/81/26/48/1063812648.db2.gz YAPKNFCTYBHSJV-SFHVURJKSA-N -2 0 365.405 2.847 20 30 FFEDRL N#CCCCOc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000324616236 511838060 /nfs/dbraw/zinc/83/80/60/511838060.db2.gz YTMGBMNZAWTQJO-UHFFFAOYSA-N -2 0 366.420 2.930 20 30 FFEDRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000326137779 511854235 /nfs/dbraw/zinc/85/42/35/511854235.db2.gz JODZTCMKSCPSKC-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1C(=O)[O-] ZINC000326892122 511864771 /nfs/dbraw/zinc/86/47/71/511864771.db2.gz GKVSOGKGTWFLOU-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000505127526 515452860 /nfs/dbraw/zinc/45/28/60/515452860.db2.gz CUJZSTZCJCRYSM-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000548536502 517040346 /nfs/dbraw/zinc/04/03/46/517040346.db2.gz GNYXRIPBUBUPDV-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610056866 520517906 /nfs/dbraw/zinc/51/79/06/520517906.db2.gz ZPVSWPLORJKAJZ-UHFFFAOYSA-N -2 0 366.395 2.918 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1C#N ZINC000738194970 599986174 /nfs/dbraw/zinc/98/61/74/599986174.db2.gz GJLMTWHXLXYQBV-AWEZNQCLSA-N -2 0 371.418 2.717 20 30 FFEDRL COc1ccc([C@@H](CC(=O)[O-])/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000737951489 600494653 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CC(C)Oc1c([N-]S(=O)(=O)c2ccccc2C#N)cccc1C(=O)[O-] ZINC000410399471 512254003 /nfs/dbraw/zinc/25/40/03/512254003.db2.gz FJZYBOWOYAPWIS-UHFFFAOYSA-N -2 0 360.391 2.844 20 30 FFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000736090084 600900634 /nfs/dbraw/zinc/90/06/34/600900634.db2.gz UIOYFYPTCAEKEO-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL Cc1oc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000833029137 601234089 /nfs/dbraw/zinc/23/40/89/601234089.db2.gz CGCFBGBFRPDQTR-UHFFFAOYSA-N -2 0 374.296 2.978 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C#N ZINC000832770798 602322389 /nfs/dbraw/zinc/32/23/89/602322389.db2.gz HNBGEFYSFMLVGY-IINYFYTJSA-N -2 0 371.418 2.573 20 30 FFEDRL C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)c1 ZINC000504299135 729924427 /nfs/dbraw/zinc/92/44/27/729924427.db2.gz LQWYEXNDYUIXPB-UHFFFAOYSA-N -2 0 364.423 2.962 20 30 FFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000741657805 735154742 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COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)ccc1OCC(=O)[O-] ZINC000831976813 604627026 /nfs/dbraw/zinc/62/70/26/604627026.db2.gz PTRFRUOLMJVOBW-KRXBUXKQSA-N -2 0 356.330 2.753 20 30 FFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833402328 605598133 /nfs/dbraw/zinc/59/81/33/605598133.db2.gz JCGBWRIKWSMQKJ-RUNBWSAHSA-N -2 0 372.402 2.876 20 30 FFEDRL Cc1cc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)sc1C(=O)[O-] ZINC000779844173 738489190 /nfs/dbraw/zinc/48/91/90/738489190.db2.gz GFFAKBNTLSPRPA-SNVBAGLBSA-N -2 0 366.420 2.846 20 30 FFEDRL C#CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000753781237 736094276 /nfs/dbraw/zinc/09/42/76/736094276.db2.gz XRVQTEPLCNTZFV-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c([N+](=O)[O-])c1 ZINC000808114215 741188162 /nfs/dbraw/zinc/18/81/62/741188162.db2.gz UPKODNISBAPRQL-UHFFFAOYSA-N -2 0 371.733 2.765 20 30 FFEDRL CC(F)(F)CC[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-]CCC(C)(F)F ZINC000833086978 745772152 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2.840 20 30 FFEDRL N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195236460 1004913523 /nfs/dbraw/zinc/91/35/23/1004913523.db2.gz WTKCXZUNVOVKGN-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187579134 1006162560 /nfs/dbraw/zinc/16/25/60/1006162560.db2.gz OWLGINCMQFGOHY-UHFFFAOYSA-N -2 0 361.766 2.582 20 30 FFEDRL COc1cc(C(=O)[O-])ccc1N=NCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794923669 1011001181 /nfs/dbraw/zinc/00/11/81/1011001181.db2.gz SQZOVUBCHCEINI-LLVKDONJSA-N -2 0 358.350 2.691 20 30 FFEDRL O=C([O-])CCOc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000757474531 1023823471 /nfs/dbraw/zinc/82/34/71/1023823471.db2.gz UQJVGSKMKGVWQL-XVNBXDOJSA-N -3 0 356.330 2.840 20 30 FFEDRL C=C[C@H](CC)Oc1c([O-])cc2c(=O)oc3c(O)c([O-])cc4c(=O)oc1c2c43 ZINC001227575500 1035614546 /nfs/dbraw/zinc/61/45/46/1035614546.db2.gz TXECFUSFBUHRPJ-SSDOTTSWSA-N -2 0 370.313 2.951 20 30 FFEDRL COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)ccc1C(=O)[O-] 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GLVMHXYPYLYEOX-LLVKDONJSA-N -2 0 362.382 2.761 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c(F)c1 ZINC000610057728 520520014 /nfs/dbraw/zinc/52/00/14/520520014.db2.gz IIMJRKKPTBJKIF-UHFFFAOYSA-N -2 0 359.338 2.678 20 30 FFEDRL CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829519726 601233618 /nfs/dbraw/zinc/23/36/18/601233618.db2.gz PLNZPINRNWXHOQ-UHFFFAOYSA-N -2 0 363.395 2.781 20 30 FFEDRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000747409001 601828922 /nfs/dbraw/zinc/82/89/22/601828922.db2.gz LHHZPHZQFOHYDY-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1C#N ZINC000829755520 604006004 /nfs/dbraw/zinc/00/60/04/604006004.db2.gz YCZUZOQDEWPDNE-SECBINFHSA-N -2 0 372.406 2.962 20 30 FFEDRL C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC000833371919 604763262 /nfs/dbraw/zinc/76/32/62/604763262.db2.gz WYTKYQHOADSTHE-LLVKDONJSA-N -2 0 365.432 2.611 20 30 FFEDRL N#CC(=C([O-])c1cnc(NC(=O)[O-])cn1)c1nc2cc(F)ccc2s1 ZINC000833961782 606014189 /nfs/dbraw/zinc/01/41/89/606014189.db2.gz VAGKVNLCMGZVFO-MRVPVSSYSA-N -2 0 357.326 2.805 20 30 FFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000779847860 738489988 /nfs/dbraw/zinc/48/99/88/738489988.db2.gz GSKCTLWOBOBSMA-SNVBAGLBSA-N -2 0 364.354 2.616 20 30 FFEDRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1C(=O)[O-] ZINC000753775519 736093615 /nfs/dbraw/zinc/09/36/15/736093615.db2.gz MIOPYNXBEZXJFQ-UHFFFAOYSA-N -2 0 364.354 2.536 20 30 FFEDRL CC[C@](NC(=O)c1[n-]c(=O)c(C#N)cc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595259103 980262186 /nfs/dbraw/zinc/26/21/86/980262186.db2.gz OPMSHLLNXYIGRA-GOSISDBHSA-N -2 0 373.796 2.741 20 30 FFEDRL CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(=O)[O-])no2)cc1 ZINC001595009166 982933017 /nfs/dbraw/zinc/93/30/17/982933017.db2.gz FYBGWUBDOXKUIP-MFKMUULPSA-N -2 0 355.350 2.847 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1C#N ZINC001599804646 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CC(C)Oc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cccc1C(=O)[O-] ZINC000410399435 512253846 /nfs/dbraw/zinc/25/38/46/512253846.db2.gz FDOVOCPNNDJUBL-UHFFFAOYSA-N -2 0 360.391 2.844 20 30 FFEDRL N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000132592010 509050013 /nfs/dbraw/zinc/05/00/13/509050013.db2.gz PRTCXGDFSHQVCC-UHFFFAOYSA-N -2 0 359.338 2.678 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)NCCCCCC(=O)[O-])c(C(F)(F)F)c1 ZINC000298840481 511426513 /nfs/dbraw/zinc/42/65/13/511426513.db2.gz FWNYUIUATVRDPM-UHFFFAOYSA-N -2 0 364.345 2.500 20 30 FFEDRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000326342198 511857038 /nfs/dbraw/zinc/85/70/38/511857038.db2.gz LFNOZLFCRMKWGU-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-] ZINC000560079096 517567452 /nfs/dbraw/zinc/56/74/52/517567452.db2.gz YEBLSXSKGGLRCD-MRXNPFEDSA-N -2 0 374.409 2.784 20 30 FFEDRL C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000521716485 517838263 /nfs/dbraw/zinc/83/82/63/517838263.db2.gz KCMMBOLZWQTZIC-SNVBAGLBSA-N -2 0 365.436 2.765 20 30 FFEDRL O=C([O-])c1cccc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)c1 ZINC000774119845 598201585 /nfs/dbraw/zinc/20/15/85/598201585.db2.gz OGTSGNDRXXCONJ-XQRVVYSFSA-N -2 0 367.401 2.819 20 30 FFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)CCc2ccc(C(=O)[O-])cc2)n1 ZINC000738814392 600090579 /nfs/dbraw/zinc/09/05/79/600090579.db2.gz PUBKHPQLBDPRBT-AWEZNQCLSA-N -2 0 372.402 2.502 20 30 FFEDRL N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC000739141909 600489230 /nfs/dbraw/zinc/48/92/30/600489230.db2.gz DIBZHBWYRKZIFR-UHFFFAOYSA-N -2 0 360.391 2.603 20 30 FFEDRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000831945517 601150098 /nfs/dbraw/zinc/15/00/98/601150098.db2.gz JKYNTQMJRIWFMZ-UHFFFAOYSA-N -2 0 372.811 2.781 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000833069797 601863494 /nfs/dbraw/zinc/86/34/94/601863494.db2.gz QZYFQZXZDXKKAU-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000833913852 605971368 /nfs/dbraw/zinc/97/13/68/605971368.db2.gz LPHVEECFSCLGMH-VIFPVBQESA-N -2 0 355.379 2.918 20 30 FFEDRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1F ZINC000749141891 735697873 /nfs/dbraw/zinc/69/78/73/735697873.db2.gz MXYMBVMEAAESOV-UHFFFAOYSA-N -2 0 364.354 2.536 20 30 FFEDRL Cn1c(=O)sc2cc(/C=C\C(=O)c3ccc(C(=O)[O-])cc3[O-])ccc21 ZINC000806558501 741069030 /nfs/dbraw/zinc/06/90/30/741069030.db2.gz DZLBDLCHKIILFJ-CLTKARDFSA-N -2 0 355.371 2.900 20 30 FFEDRL COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1CC(=O)[O-] ZINC000748146169 962286779 /nfs/dbraw/zinc/28/67/79/962286779.db2.gz DXDSXWFUCGCIOO-ZZXKWVIFSA-N -2 0 357.318 2.832 20 30 FFEDRL CC(C)c1sc([N-]S(=O)(=O)c2ccc(CC#N)cc2)nc1C(=O)[O-] ZINC001592117248 976920222 /nfs/dbraw/zinc/92/02/22/976920222.db2.gz PGFMCHKWWQIGKQ-UHFFFAOYSA-N -2 0 365.436 2.832 20 30 FFEDRL N#Cc1cc2cccnc2nc1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167936219 978194375 /nfs/dbraw/zinc/19/43/75/978194375.db2.gz XNWKVZVWSNYDPO-UHFFFAOYSA-N -2 0 366.317 2.586 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1C#N ZINC001599805458 988248162 /nfs/dbraw/zinc/24/81/62/988248162.db2.gz WOMLAALOQVPZIY-SECBINFHSA-N -2 0 357.391 2.821 20 30 FFEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000766034510 989296472 /nfs/dbraw/zinc/29/64/72/989296472.db2.gz QHUZTURHTQKIJJ-DJWKRKHSSA-N -2 0 358.262 2.803 20 30 FFEDRL Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1F ZINC001186193611 1003216022 /nfs/dbraw/zinc/21/60/22/1003216022.db2.gz SILJZVBZKIVYJE-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL COc1cc(C(=O)[O-])ccc1N=NCc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000756901747 1023767199 /nfs/dbraw/zinc/76/71/99/1023767199.db2.gz ZMJVMDUIABHSQE-NSHDSACASA-N -2 0 358.350 2.691 20 30 FFEDRL COc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)ccc1OCC(=O)[O-] ZINC001248684377 1040362410 /nfs/dbraw/zinc/36/24/10/1040362410.db2.gz VMAWOEDTCMUBQU-XBXARRHUSA-N -2 0 370.357 2.682 20 30 FFEDRL N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393792 1040576667 /nfs/dbraw/zinc/57/66/67/1040576667.db2.gz VRYWEYIIKALMQF-UHFFFAOYSA-N -2 0 358.331 2.509 20 30 FFEDRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435699553 513662509 /nfs/dbraw/zinc/66/25/09/513662509.db2.gz YOQGRWNKZLKYDQ-UHFFFAOYSA-N -2 0 374.418 2.693 20 30 FFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438814397 514446603 /nfs/dbraw/zinc/44/66/03/514446603.db2.gz WTSZTYRZKBYNIG-UHFFFAOYSA-N -2 0 364.354 2.595 20 30 FFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466356046 514619498 /nfs/dbraw/zinc/61/94/98/514619498.db2.gz XSNIHOYYOKEBNC-UHFFFAOYSA-N -2 0 360.391 2.764 20 30 FFEDRL CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000511126784 515796722 /nfs/dbraw/zinc/79/67/22/515796722.db2.gz QPTUADDQFRGYII-UHFFFAOYSA-N -2 0 366.420 2.906 20 30 FFEDRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000548591426 517070122 /nfs/dbraw/zinc/07/01/22/517070122.db2.gz JMNSNMBQVFZLKD-UHFFFAOYSA-N -2 0 366.439 2.538 20 30 FFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000736076676 600899304 /nfs/dbraw/zinc/89/93/04/600899304.db2.gz SHWVPXRMDHEVGI-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000736076742 600899530 /nfs/dbraw/zinc/89/95/30/600899530.db2.gz UIGMXPLDQYEWFD-UHFFFAOYSA-N -2 0 367.354 2.547 20 30 FFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000736075762 600899649 /nfs/dbraw/zinc/89/96/49/600899649.db2.gz GRTNHCJOTUFAJH-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL N#CC(C(=O)N1CCCC1)=C([O-])c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833063330 602031992 /nfs/dbraw/zinc/03/19/92/602031992.db2.gz ILOTXLHRUKDGCL-GFCCVEGCSA-N -2 0 369.299 2.740 20 30 FFEDRL CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000829808989 602308121 /nfs/dbraw/zinc/30/81/21/602308121.db2.gz MPOLFFKKGIDHMC-UHFFFAOYSA-N -2 0 363.395 2.699 20 30 FFEDRL Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000832849961 604399263 /nfs/dbraw/zinc/39/92/63/604399263.db2.gz VDBAZFRHRYGFAX-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000833965378 605654938 /nfs/dbraw/zinc/65/49/38/605654938.db2.gz ABZTWRULWQFNFC-SNVBAGLBSA-N -2 0 359.769 2.527 20 30 FFEDRL O=C([O-])c1ccc(NN=Cc2ccc(OC(F)(F)C(=O)[O-])cc2)cc1 ZINC000730721397 734645975 /nfs/dbraw/zinc/64/59/75/734645975.db2.gz FJTZHXPJLZWBPT-UHFFFAOYSA-N -2 0 350.277 2.887 20 30 FFEDRL Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc(C(=O)[O-])c1Cl ZINC000759100370 736546818 /nfs/dbraw/zinc/54/68/18/736546818.db2.gz ANDRODVOTNCAMC-UHFFFAOYSA-N -2 0 366.782 2.725 20 30 FFEDRL CC(C)(C)c1csc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C#N ZINC001590537405 990154715 /nfs/dbraw/zinc/15/47/15/990154715.db2.gz WQONWLJKHXEWQV-UHFFFAOYSA-N -2 0 353.425 2.744 20 30 FFEDRL C[C@H](Oc1cccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c1)C(=O)[O-] ZINC000733207137 998927368 /nfs/dbraw/zinc/92/73/68/998927368.db2.gz VIFWIPFIUSGOAM-YXVBKTCISA-N -2 0 370.357 2.898 20 30 FFEDRL N#Cc1oc2ccccc2c1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148915548 1001234460 /nfs/dbraw/zinc/23/44/60/1001234460.db2.gz SOCOFQSDVIYIKU-UHFFFAOYSA-N -2 0 358.331 2.509 20 30 FFEDRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)ccc(F)c1C#N ZINC001185919234 1003132455 /nfs/dbraw/zinc/13/24/55/1003132455.db2.gz WSFGGANPDMAZKI-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192145236 1004079165 /nfs/dbraw/zinc/07/91/65/1004079165.db2.gz DAJSZIOUVNKCCH-UHFFFAOYSA-N -2 0 366.345 2.654 20 30 FFEDRL CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])cs1)C1CC1 ZINC000806560753 1004362848 /nfs/dbraw/zinc/36/28/48/1004362848.db2.gz OJJVRVZTEJGFIU-XVNBXDOJSA-N -2 0 372.402 2.958 20 30 FFEDRL N#Cc1ccsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193973282 1004622705 /nfs/dbraw/zinc/62/27/05/1004622705.db2.gz PRMLRKHHWJJITK-UHFFFAOYSA-N -2 0 360.775 2.911 20 30 FFEDRL Cc1oc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C#N)c1C ZINC001187548695 1006138844 /nfs/dbraw/zinc/13/88/44/1006138844.db2.gz VVHIDAIQKBQPHC-UHFFFAOYSA-N -2 0 354.771 2.921 20 30 FFEDRL CC[C@@H](NN=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1)C(=O)[O-] ZINC001117679295 1021812472 /nfs/dbraw/zinc/81/24/72/1021812472.db2.gz PDGUONZGTVNPJZ-QGZVFWFLSA-N -2 0 356.378 2.751 20 30 FFEDRL COc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1CC(=O)[O-] ZINC000779358254 1023714703 /nfs/dbraw/zinc/71/47/03/1023714703.db2.gz HEIMIVIHPUGLLK-DJWKRKHSSA-N -2 0 356.330 2.622 20 30 FFEDRL COc1c(O)ccc2c(=O)c3c(O[C@@H]4C=CC(=O)C4)cc(O)cc3oc21 ZINC001234751938 1037170053 /nfs/dbraw/zinc/17/00/53/1037170053.db2.gz RHGXXCAEQYWHQH-LLVKDONJSA-N -2 0 354.314 2.642 20 30 FFEDRL N#Cc1cc(-c2ccc(P(=O)([O-])[O-])cc2)ccc1OC1CCOCC1 ZINC001245307912 1038953233 /nfs/dbraw/zinc/95/32/33/1038953233.db2.gz ZYLUJVFCNZYOJZ-UHFFFAOYSA-N -2 0 359.318 2.586 20 30 FFEDRL N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC001260499989 1040628208 /nfs/dbraw/zinc/62/82/08/1040628208.db2.gz JDGSDZPXPRIQQI-UHFFFAOYSA-N -2 0 358.297 2.963 20 30 FFEDRL Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433507236 514505588 /nfs/dbraw/zinc/50/55/88/514505588.db2.gz QYDVLXHDOJNTCO-UHFFFAOYSA-N -2 0 360.391 2.508 20 30 FFEDRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000462102065 514884525 /nfs/dbraw/zinc/88/45/25/514884525.db2.gz NPAZRMCIFRSMTI-UHFFFAOYSA-N -2 0 364.354 2.595 20 30 FFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000546707430 517808826 /nfs/dbraw/zinc/80/88/26/517808826.db2.gz NALCUVZETYCDBN-UHFFFAOYSA-N -2 0 360.391 2.683 20 30 FFEDRL C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000555530001 569966253 /nfs/dbraw/zinc/96/62/53/569966253.db2.gz ITVQWROWTAUOFW-UHFFFAOYSA-N -2 0 366.826 2.762 20 30 FFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000779848359 605598146 /nfs/dbraw/zinc/59/81/46/605598146.db2.gz MLWYNVYEAROHFR-SNVBAGLBSA-N -2 0 364.354 2.616 20 30 FFEDRL CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000795361034 740009985 /nfs/dbraw/zinc/00/99/85/740009985.db2.gz GXAWIFQGMGWXTE-UHFFFAOYSA-N -2 0 363.370 2.547 20 30 FFEDRL N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186143083 1003195978 /nfs/dbraw/zinc/19/59/78/1003195978.db2.gz ARXDWSTVXOVFIQ-UHFFFAOYSA-N -2 0 360.322 2.943 20 30 FFEDRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)s2)cc1C(=O)[O-] ZINC001192614606 1004216843 /nfs/dbraw/zinc/21/68/43/1004216843.db2.gz IMSRENJOPIXYEC-UHFFFAOYSA-N -2 0 352.393 2.517 20 30 FFEDRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1C#N ZINC001195244032 1004921613 /nfs/dbraw/zinc/92/16/13/1004921613.db2.gz BMZMYKWZGDBIKC-UHFFFAOYSA-N -2 0 366.345 2.952 20 30 FFEDRL N#Cc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1F ZINC001195237753 1004930699 /nfs/dbraw/zinc/93/06/99/1004930699.db2.gz ICADWZUFFUPPAQ-UHFFFAOYSA-N -2 0 374.271 2.614 20 30 FFEDRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C#N ZINC001187579330 1006162303 /nfs/dbraw/zinc/16/23/03/1006162303.db2.gz URZGSPXLDNWIJT-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)c1 ZINC000757474458 1023823192 /nfs/dbraw/zinc/82/31/92/1023823192.db2.gz TVXLWMCXZQWZPC-GORDUTHDSA-N -2 0 353.309 2.706 20 30 FFEDRL N#Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)sc2c1CCCC2 ZINC001260182820 1040443092 /nfs/dbraw/zinc/44/30/92/1040443092.db2.gz PGRNCZAPHYJZBX-UHFFFAOYSA-N -2 0 362.432 2.998 20 30 FFEDRL Cc1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1C(=O)[O-] ZINC000130022450 508788291 /nfs/dbraw/zinc/78/82/91/508788291.db2.gz PTAZMPDNEOPYKM-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(Cl)c1 ZINC000321939523 511823075 /nfs/dbraw/zinc/82/30/75/511823075.db2.gz BXUQQSNFTXTCSX-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000323438464 511830290 /nfs/dbraw/zinc/83/02/90/511830290.db2.gz RXGPOFJRKPQPTN-JTQLQIEISA-N -2 0 350.421 2.999 20 30 FFEDRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1)C(=O)[O-] ZINC000435482963 513602129 /nfs/dbraw/zinc/60/21/29/513602129.db2.gz PGULDUTZAYWXSR-SNVBAGLBSA-N -2 0 350.421 2.684 20 30 FFEDRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000484978579 514863019 /nfs/dbraw/zinc/86/30/19/514863019.db2.gz HRLLNCWSOPPJSX-UHFFFAOYSA-N -2 0 374.418 2.693 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c(F)c1 ZINC000542860088 517784936 /nfs/dbraw/zinc/78/49/36/517784936.db2.gz CDCCWTPXCRWYGF-UHFFFAOYSA-N -2 0 362.382 2.905 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000542860532 517785797 /nfs/dbraw/zinc/78/57/97/517785797.db2.gz YEDWTOGPUUAUFW-UHFFFAOYSA-N -2 0 374.418 2.775 20 30 FFEDRL N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000609069290 520184917 /nfs/dbraw/zinc/18/49/17/520184917.db2.gz POPMXPQCQVGSSJ-UHFFFAOYSA-N 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ZINC001186183932 1003209532 /nfs/dbraw/zinc/20/95/32/1003209532.db2.gz ONDBNOJHRGEBDI-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL C#Cc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192401914 1004162990 /nfs/dbraw/zinc/16/29/90/1004162990.db2.gz VJBMXMPLOCIMCJ-UHFFFAOYSA-N -2 0 371.201 2.869 20 30 FFEDRL N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187581015 1006162615 /nfs/dbraw/zinc/16/26/15/1006162615.db2.gz FUFRREATPKKDIT-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(O)cc1F ZINC001188315254 1006508155 /nfs/dbraw/zinc/50/81/55/1006508155.db2.gz YYPCSKUCADMQRX-UHFFFAOYSA-N -2 0 370.745 2.555 20 30 FFEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000757472431 1023823264 /nfs/dbraw/zinc/82/32/64/1023823264.db2.gz HKXUGSKFVGGCEB-HNQUOIGGSA-N -2 0 371.301 2.666 20 30 FFEDRL CCOC(=O)c1cc(C)nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C#N ZINC001242159913 1044691631 /nfs/dbraw/zinc/69/16/31/1044691631.db2.gz 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ZINC001188314927 1006508739 /nfs/dbraw/zinc/50/87/39/1006508739.db2.gz TXYKXJLMZNQBTB-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL N#Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260398755 1040577217 /nfs/dbraw/zinc/57/72/17/1040577217.db2.gz WYPKHUCGIRKVKO-UHFFFAOYSA-N -2 0 368.370 2.916 20 30 FFEDRL N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260399848 1040578790 /nfs/dbraw/zinc/57/87/90/1040578790.db2.gz CAVWMSIQKAHQCB-UHFFFAOYSA-N -2 0 370.745 2.555 20 30 FFEDRL N#Cc1nc(-c2ccccc2)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1C#N ZINC001242160003 1044691239 /nfs/dbraw/zinc/69/12/39/1044691239.db2.gz ASMGRFAEPJRFQX-UHFFFAOYSA-N -2 0 370.324 2.950 20 30 FFEDRL CCOC(=O)c1cc(C#N)c(C)nc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159650 1044691486 /nfs/dbraw/zinc/69/14/86/1044691486.db2.gz PHQOHQBWHGQARW-UHFFFAOYSA-N -2 0 354.318 2.502 20 30 FFEDRL CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000439614258 513152263 /nfs/dbraw/zinc/15/22/63/513152263.db2.gz CLFNKNWTEAQDBY-UHFFFAOYSA-N -2 0 365.436 2.859 20 30 FFEDRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000484964440 514858275 /nfs/dbraw/zinc/85/82/75/514858275.db2.gz NYFLAWDJOYDVQW-UHFFFAOYSA-N -2 0 360.391 2.844 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C)c(C)cc1C(=O)[O-] ZINC000478677016 515919759 /nfs/dbraw/zinc/91/97/59/515919759.db2.gz QISPIDSHRQARBS-UHFFFAOYSA-N -2 0 360.391 2.683 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000548241227 516846968 /nfs/dbraw/zinc/84/69/68/516846968.db2.gz UOFITBAWRMUEQH-FZMZJTMJSA-N -2 0 372.393 2.538 20 30 FFEDRL N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000739121383 599801671 /nfs/dbraw/zinc/80/16/71/599801671.db2.gz OYQKJJMKZKMRKJ-UHFFFAOYSA-N -2 0 374.346 2.720 20 30 FFEDRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737920684 600891807 /nfs/dbraw/zinc/89/18/07/600891807.db2.gz POPGAXWQZGPSGO-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000129497862 601857628 /nfs/dbraw/zinc/85/76/28/601857628.db2.gz LZXJGGDHPRTGCI-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833402624 605598055 /nfs/dbraw/zinc/59/80/55/605598055.db2.gz RIHULCFTFZANJN-VIFPVBQESA-N -2 0 352.393 2.538 20 30 FFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833402534 605598119 /nfs/dbraw/zinc/59/81/19/605598119.db2.gz OZEKFFXVNHBRMY-SNVBAGLBSA-N -2 0 364.354 2.616 20 30 FFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000779847760 605598163 /nfs/dbraw/zinc/59/81/63/605598163.db2.gz COYIQVLGFPVWJZ-VIFPVBQESA-N -2 0 352.393 2.538 20 30 FFEDRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000739918156 735062002 /nfs/dbraw/zinc/06/20/02/735062002.db2.gz AOHWAYSEINVUMR-UHFFFAOYSA-N -2 0 365.342 2.597 20 30 FFEDRL Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001594274074 957700808 /nfs/dbraw/zinc/70/08/08/957700808.db2.gz OWTFCKXCOFGQDW-ZDUSSCGKSA-N -2 0 365.389 2.651 20 30 FFEDRL CN(Cc1nc(=O)c2sccc2[n-]1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598538696 992872276 /nfs/dbraw/zinc/87/22/76/992872276.db2.gz YJMYUXQKFLLIQZ-AWEZNQCLSA-N -2 0 354.391 2.526 20 30 FFEDRL CC[C@H](NN=Cc1cccc(OCc2ccccc2C(=O)[O-])c1)C(=O)[O-] ZINC000793082399 1003273253 /nfs/dbraw/zinc/27/32/53/1003273253.db2.gz XKGQFVYOYYOTFA-KRWDZBQOSA-N -2 0 356.378 2.751 20 30 FFEDRL COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])c([N+](=O)[O-])cc1OC ZINC000806558560 1004361801 /nfs/dbraw/zinc/36/18/01/1004361801.db2.gz GGFJTXNJONZXTI-GQCTYLIASA-N -2 0 373.317 2.912 20 30 FFEDRL O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])c1 ZINC000806559030 1004362029 /nfs/dbraw/zinc/36/20/29/1004362029.db2.gz SCTRPQNSPKJVLG-QPJJXVBHSA-N -3 0 356.330 2.840 20 30 FFEDRL C#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC001194011444 1004630184 /nfs/dbraw/zinc/63/01/84/1004630184.db2.gz CCOYHNFFHPYZLJ-UHFFFAOYSA-N -2 0 353.758 2.959 20 30 FFEDRL Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195236159 1004913361 /nfs/dbraw/zinc/91/33/61/1004913361.db2.gz LIYCZTWBXGYNFS-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL COc1cc(C#N)cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001188323845 1006513084 /nfs/dbraw/zinc/51/30/84/1006513084.db2.gz UIOITZDSWDRJKX-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)s1 ZINC001259214572 1039810223 /nfs/dbraw/zinc/81/02/23/1039810223.db2.gz XJRWZVMCGCHNNG-UHFFFAOYSA-N -2 0 360.775 2.911 20 30 FFEDRL C=C(C)C[C@@H](NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])C(=O)[O-] ZINC001588548900 1080090060 /nfs/dbraw/zinc/09/00/60/1080090060.db2.gz YMHKPRZYBVIIHC-OAHLLOKOSA-N -2 0 357.410 2.851 20 30 FFEDRL C=CC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001588721937 1080170681 /nfs/dbraw/zinc/17/06/81/1080170681.db2.gz UODRWIMKRWCKHV-QGZVFWFLSA-N -2 0 373.430 2.691 20 30 FFEDRL Cc1ncc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1C#N ZINC000327667061 511879542 /nfs/dbraw/zinc/87/95/42/511879542.db2.gz ARFZMBYGNQNEIG-LLVKDONJSA-N -2 0 359.407 2.641 20 30 FFEDRL Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1-n1cccc1C(=O)[O-] ZINC000489292756 514785945 /nfs/dbraw/zinc/78/59/45/514785945.db2.gz TZSIBJWXURDVEP-UHFFFAOYSA-N -2 0 371.374 2.749 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000523530819 516496125 /nfs/dbraw/zinc/49/61/25/516496125.db2.gz NIEUZJLNSRXCSL-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)c(F)c1 ZINC000547908738 516628423 /nfs/dbraw/zinc/62/84/23/516628423.db2.gz GBFSKRZDJWMAPN-UHFFFAOYSA-N -2 0 372.393 2.540 20 30 FFEDRL CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000532093079 516797663 /nfs/dbraw/zinc/79/76/63/516797663.db2.gz MONJNNNGMRZBNI-UHFFFAOYSA-N -2 0 365.436 2.859 20 30 FFEDRL N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000541928035 517297197 /nfs/dbraw/zinc/29/71/97/517297197.db2.gz RGOZSWLSPQBRJA-UHFFFAOYSA-N -2 0 362.382 2.905 20 30 FFEDRL CN(Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1)C(=O)[O-] ZINC000737486960 600546042 /nfs/dbraw/zinc/54/60/42/600546042.db2.gz ZDAQRXXGBZGRIA-UHFFFAOYSA-N -2 0 363.370 2.608 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1C#N ZINC000832770736 600763660 /nfs/dbraw/zinc/76/36/60/600763660.db2.gz CZYHQPCGUCPMPQ-LLVKDONJSA-N -2 0 369.402 2.599 20 30 FFEDRL N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1F ZINC000728184569 601840259 /nfs/dbraw/zinc/84/02/59/601840259.db2.gz HBPDPEUJTLTLBU-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL O=[N+]([O-])c1cc(Cl)cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)c1[O-] ZINC000916305470 737694815 /nfs/dbraw/zinc/69/48/15/737694815.db2.gz SNJBJIIGQREWOB-UHFFFAOYSA-N -2 0 367.696 2.735 20 30 FFEDRL CCc1cc(C#N)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)s1 ZINC001597424179 987746989 /nfs/dbraw/zinc/74/69/89/987746989.db2.gz MBLRZUZWGTYZRR-UHFFFAOYSA-N -2 0 350.421 2.610 20 30 FFEDRL COc1ccc(C=NNc2ccc(C)c(C(=O)[O-])c2)c(OCC(=O)[O-])c1 ZINC001599543051 997876421 /nfs/dbraw/zinc/87/64/21/997876421.db2.gz AMJOFXGSEMUJCW-UHFFFAOYSA-N -2 0 358.350 2.611 20 30 FFEDRL CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC001186143264 1003195991 /nfs/dbraw/zinc/19/59/91/1003195991.db2.gz LPQVHMGBKHZHLA-UHFFFAOYSA-N -2 0 363.370 2.521 20 30 FFEDRL Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C#N ZINC001186152631 1003201382 /nfs/dbraw/zinc/20/13/82/1003201382.db2.gz HVRQHTQGWSOCGD-UHFFFAOYSA-N -2 0 369.761 2.553 20 30 FFEDRL N#Cc1cnoc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196068492 1003660556 /nfs/dbraw/zinc/66/05/56/1003660556.db2.gz SYXLNMNCBVYMEJ-UHFFFAOYSA-N -2 0 369.358 2.712 20 30 FFEDRL N#Cc1ccc(F)c(F)c1[N-]C(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152708236 1032220610 /nfs/dbraw/zinc/22/06/10/1032220610.db2.gz QUFWMGNMYHRCGU-UHFFFAOYSA-N -2 0 366.301 2.620 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)Nc2c(-c3ccccc3)[n-][nH]c2=O)cc1C#N ZINC001159367156 1027371292 /nfs/dbraw/zinc/37/12/92/1027371292.db2.gz XDRTXNVQILITPW-UHFFFAOYSA-N -2 0 367.390 2.729 20 30 FFEDRL Cc1cc(Cl)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1C#N ZINC001260210313 1040464018 /nfs/dbraw/zinc/46/40/18/1040464018.db2.gz GHIBTFUXDPVECD-UHFFFAOYSA-N -2 0 369.761 2.553 20 30 FFEDRL CC(C)(C)C(=O)Nc1ccc(/C=N/O)nc1-c1cnc(F)c(C(=O)[O-])c1 ZINC001244751847 1045194230 /nfs/dbraw/zinc/19/42/30/1045194230.db2.gz HIYMXCRDDOUAHI-DNTJNYDQSA-N -2 0 360.345 2.774 20 30 FFEDRL N#Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1F ZINC000324055076 511832828 /nfs/dbraw/zinc/83/28/28/511832828.db2.gz VIFQRFIDKZAEHK-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000325216217 511845180 /nfs/dbraw/zinc/84/51/80/511845180.db2.gz MYGMDCDSTYHCOE-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000485039739 514886104 /nfs/dbraw/zinc/88/61/04/514886104.db2.gz JNXCDRUZWVADDZ-UHFFFAOYSA-N -2 0 372.189 2.759 20 30 FFEDRL CC1(C)CCC(NS(=O)(=O)c2cc(C#N)ccc2Cl)(C(=O)[O-])CC1 ZINC000541931406 517298259 /nfs/dbraw/zinc/29/82/59/517298259.db2.gz WTRKTZNKPUODIJ-UHFFFAOYSA-N -2 0 370.858 2.914 20 30 FFEDRL C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000819847730 597659989 /nfs/dbraw/zinc/65/99/89/597659989.db2.gz OLCNPXVPYUEMKQ-GFCCVEGCSA-N -2 0 361.579 2.751 20 30 FFEDRL CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736746791 599987947 /nfs/dbraw/zinc/98/79/47/599987947.db2.gz OUMTZQJHYAGBFM-KRWDZBQOSA-N -2 0 371.393 2.628 20 30 FFEDRL C=CCOc1cccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)c1 ZINC000825702107 601202443 /nfs/dbraw/zinc/20/24/43/601202443.db2.gz DSWQTMSHSYZZHV-UHFFFAOYSA-N -2 0 369.420 2.821 20 30 FFEDRL CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000759165435 602307597 /nfs/dbraw/zinc/30/75/97/602307597.db2.gz KPNZZJVGLPOHKB-UHFFFAOYSA-N -2 0 363.370 2.628 20 30 FFEDRL COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1NC(=O)[O-] ZINC000739870038 603010960 /nfs/dbraw/zinc/01/09/60/603010960.db2.gz SBGRJCISXAUGJK-UHFFFAOYSA-N -2 0 365.342 2.597 20 30 FFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833402327 605598003 /nfs/dbraw/zinc/59/80/03/605598003.db2.gz JCGBWRIKWSMQKJ-BIRHUZIMSA-N -2 0 372.402 2.876 20 30 FFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000779848358 605598557 /nfs/dbraw/zinc/59/85/57/605598557.db2.gz MLWYNVYEAROHFR-JTQLQIEISA-N -2 0 364.354 2.616 20 30 FFEDRL COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(=O)[O-])o2)cc1Cl ZINC001599590231 993670373 /nfs/dbraw/zinc/67/03/73/993670373.db2.gz KKYDVMNASJEEJJ-SECBINFHSA-N -2 0 362.725 2.601 20 30 FFEDRL N#Cc1cc(NC(=O)c2nc(Br)ccc2[O-])c([O-])cc1F ZINC001191741740 1003944251 /nfs/dbraw/zinc/94/42/51/1003944251.db2.gz IXSZNCFINZZXKQ-UHFFFAOYSA-N -2 0 352.119 2.518 20 30 FFEDRL N#Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194001288 1004637556 /nfs/dbraw/zinc/63/75/56/1004637556.db2.gz ALOASOVTDUZLEK-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL COc1cc(Br)c([O-])c(NC(=O)c2ccc(C#N)cc2[O-])c1 ZINC001195751763 1005039662 /nfs/dbraw/zinc/03/96/62/1005039662.db2.gz XOZAQGQTVUBTKA-UHFFFAOYSA-N -2 0 363.167 2.993 20 30 FFEDRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1C(=O)[O-] ZINC000756359033 1023700299 /nfs/dbraw/zinc/70/02/99/1023700299.db2.gz NWKOQEPZKMFEFJ-UHFFFAOYSA-N -2 0 373.434 2.740 20 30 FFEDRL COc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000757471779 1023822719 /nfs/dbraw/zinc/82/27/19/1023822719.db2.gz DULQKTDRCFGCRB-HWKANZROSA-N -2 0 373.317 2.912 20 30 FFEDRL C#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1 ZINC001259220757 1039813475 /nfs/dbraw/zinc/81/34/75/1039813475.db2.gz SGAJBOBHFJHRRX-UHFFFAOYSA-N -2 0 353.758 2.959 20 30 FFEDRL Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1Cl ZINC001260400491 1040579472 /nfs/dbraw/zinc/57/94/72/1040579472.db2.gz PFVVQJTWHCFTQH-UHFFFAOYSA-N -2 0 366.782 2.725 20 30 FFEDRL C#CCOc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cc1 ZINC001588498105 1080059675 /nfs/dbraw/zinc/05/96/75/1080059675.db2.gz WLACNIKWPGEXDP-UHFFFAOYSA-N -2 0 365.794 2.851 20 30 FFEDRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000266753925 510766309 /nfs/dbraw/zinc/76/63/09/510766309.db2.gz DGQZGPIAVDKEDI-UHFFFAOYSA-N -2 0 364.379 2.746 20 30 FFEDRL CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481960808 515529070 /nfs/dbraw/zinc/52/90/70/515529070.db2.gz MTYJTPWQQQELDG-UHFFFAOYSA-N -2 0 374.418 2.773 20 30 FFEDRL C#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000730996447 599838613 /nfs/dbraw/zinc/83/86/13/599838613.db2.gz QKJDSCXVUVGXES-UHFFFAOYSA-N -2 0 365.794 2.851 20 30 FFEDRL N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(F)c(NC(=O)[O-])c1 ZINC000740303974 602566055 /nfs/dbraw/zinc/56/60/55/602566055.db2.gz OOSBXMQJLFCILG-CYBMUJFWSA-N -2 0 355.325 2.554 20 30 FFEDRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cc1C(=O)[O-] 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FFEDRL Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)ccc1NC(=O)[O-] ZINC000829904932 605346751 /nfs/dbraw/zinc/34/67/51/605346751.db2.gz XAYXGOFMLOXPLT-OAHLLOKOSA-N -2 0 351.362 2.724 20 30 FFEDRL CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccccc2C(=O)[O-])o1 ZINC000819783509 606856164 /nfs/dbraw/zinc/85/61/64/606856164.db2.gz YQFOEBWLLVTYGI-UHFFFAOYSA-N -2 0 355.358 2.512 20 30 FFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793408373 739777953 /nfs/dbraw/zinc/77/79/53/739777953.db2.gz LIKCLZXSXDFJDI-UHFFFAOYSA-N -2 0 364.354 2.513 20 30 FFEDRL CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(=O)[O-])no2)cc1 ZINC001595009161 982932579 /nfs/dbraw/zinc/93/25/79/982932579.db2.gz FYBGWUBDOXKUIP-GWCFXTLKSA-N -2 0 355.350 2.847 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)N(CCC(=O)[O-])c2ccccc2C)cc1C#N ZINC001599805245 988244137 /nfs/dbraw/zinc/24/41/37/988244137.db2.gz VPXGEQKFDWIBMC-UHFFFAOYSA-N -2 0 371.418 2.811 20 30 FFEDRL N#CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195236291 1004913563 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Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000433519156 514508769 /nfs/dbraw/zinc/50/87/69/514508769.db2.gz KFRRTMNELWCXQQ-UHFFFAOYSA-N -2 0 360.391 2.508 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000463789564 515617170 /nfs/dbraw/zinc/61/71/70/515617170.db2.gz KLUGZQBPRYJANX-LBPRGKRZSA-N -2 0 374.418 2.631 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-] ZINC000463796220 515618647 /nfs/dbraw/zinc/61/86/47/515618647.db2.gz FBLNMZSMOJXLPK-UHFFFAOYSA-N -2 0 360.391 2.683 20 30 FFEDRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000548521853 517031388 /nfs/dbraw/zinc/03/13/88/517031388.db2.gz CNGHTUMKEXIRPT-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1 ZINC000739132380 600055304 /nfs/dbraw/zinc/05/53/04/600055304.db2.gz NASQFAQCFZSENH-UHFFFAOYSA-N -2 0 374.403 2.509 20 30 FFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000736089552 600900446 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FFEDRL Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)cn2C(C)(C)C)cc1C(=O)[O-] ZINC001184660222 1002678909 /nfs/dbraw/zinc/67/89/09/1002678909.db2.gz WBBDGXIGYUHJEL-UHFFFAOYSA-N -2 0 361.423 2.922 20 30 FFEDRL CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C#N)cc1C(=O)[O-] ZINC001192648573 1004219159 /nfs/dbraw/zinc/21/91/59/1004219159.db2.gz APBQDSMYPPSUJK-UHFFFAOYSA-N -2 0 360.391 2.764 20 30 FFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(O)c1 ZINC001194011882 1004629842 /nfs/dbraw/zinc/62/98/42/1004629842.db2.gz OEXVVHSFECFLLM-UHFFFAOYSA-N -2 0 370.745 2.555 20 30 FFEDRL C#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1F ZINC001195234327 1004912831 /nfs/dbraw/zinc/91/28/31/1004912831.db2.gz HVGXUOLTENRQOZ-UHFFFAOYSA-N -2 0 355.293 2.584 20 30 FFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C#N)c1 ZINC001187589888 1006144847 /nfs/dbraw/zinc/14/48/47/1006144847.db2.gz RKZIQVBKLJIVTH-UHFFFAOYSA-N -2 0 361.766 2.582 20 30 FFEDRL COc1cc(C#N)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187589328 1006145079 /nfs/dbraw/zinc/14/50/79/1006145079.db2.gz JICUXXHLZLNYDE-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187582181 1006163458 /nfs/dbraw/zinc/16/34/58/1006163458.db2.gz ROMTWWCXUPRVEK-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL N#Cc1c[nH]c2cc(NC(=O)c3ccccc3OP(=O)([O-])[O-])ccc12 ZINC001189889665 1007357363 /nfs/dbraw/zinc/35/73/63/1007357363.db2.gz ZJTQEOAIFKCOAB-UHFFFAOYSA-N -2 0 357.262 2.763 20 30 FFEDRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cc(C#N)ccc3[O-])n2)c1 ZINC000774079619 1010461594 /nfs/dbraw/zinc/46/15/94/1010461594.db2.gz DRHPRFKSGXVVSM-UHFFFAOYSA-N -2 0 352.325 2.855 20 30 FFEDRL CC(=O)N(c1nc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])cs1)C1CC1 ZINC000757473223 1023823625 /nfs/dbraw/zinc/82/36/25/1023823625.db2.gz NJCVQCLRSJILQV-CLTKARDFSA-N -2 0 372.402 2.958 20 30 FFEDRL N#Cc1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213691 1039807218 /nfs/dbraw/zinc/80/72/18/1039807218.db2.gz HGGDVIIJDDWWME-UHFFFAOYSA-N -2 0 360.775 2.911 20 30 FFEDRL CC(C)c1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(C#N)c1 ZINC001260399134 1040578599 /nfs/dbraw/zinc/57/85/99/1040578599.db2.gz XEHNTIKTENTHEI-UHFFFAOYSA-N -2 0 360.391 2.886 20 30 FFEDRL C=CCCC[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001588798033 1080200348 /nfs/dbraw/zinc/20/03/48/1080200348.db2.gz RRUBUMXVKABGCV-ZDUSSCGKSA-N -2 0 363.801 2.771 20 30 FFEDRL N#Cc1ccc(C(=O)N=c2nc(Cc3ccc(F)cc3F)[n-]s2)cc1[O-] ZINC000443670213 514018723 /nfs/dbraw/zinc/01/87/23/514018723.db2.gz SBRHKODDNVYEPO-UHFFFAOYSA-N -2 0 372.356 2.659 20 30 FFEDRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427262349 514164641 /nfs/dbraw/zinc/16/46/41/514164641.db2.gz HLIDHBFBJDVRDY-UHFFFAOYSA-N -2 0 365.798 2.723 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000463789026 515617360 /nfs/dbraw/zinc/61/73/60/515617360.db2.gz IDVMEJZOUAFZHT-UHFFFAOYSA-N -2 0 374.418 2.775 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000548193718 516818721 /nfs/dbraw/zinc/81/87/21/516818721.db2.gz RBDFBLIMRUSXEJ-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738501356 600235546 /nfs/dbraw/zinc/23/55/46/600235546.db2.gz NDUOIUGAAIBLIG-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(F)c(NC(=O)[O-])c1 ZINC000740303975 602566040 /nfs/dbraw/zinc/56/60/40/602566040.db2.gz OOSBXMQJLFCILG-ZDUSSCGKSA-N -2 0 355.325 2.554 20 30 FFEDRL Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)ccc1NC(=O)[O-] ZINC000829904931 605346676 /nfs/dbraw/zinc/34/66/76/605346676.db2.gz XAYXGOFMLOXPLT-HNNXBMFYSA-N -2 0 351.362 2.724 20 30 FFEDRL N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)ccc1Cl ZINC000160012437 728915743 /nfs/dbraw/zinc/91/57/43/728915743.db2.gz ZODZUDPNVUGHMG-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC000746352878 735478416 /nfs/dbraw/zinc/47/84/16/735478416.db2.gz XKEDKGINBJLRSV-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000775296155 738081436 /nfs/dbraw/zinc/08/14/36/738081436.db2.gz SZPRYFXGPBWTPT-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000775297878 738081876 /nfs/dbraw/zinc/08/18/76/738081876.db2.gz BIRXWXIDHJVSTB-UHFFFAOYSA-N -2 0 351.405 2.568 20 30 FFEDRL COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(=O)[O-])o2)cc1Cl ZINC001599590237 993670677 /nfs/dbraw/zinc/67/06/77/993670677.db2.gz KKYDVMNASJEEJJ-VIFPVBQESA-N -2 0 362.725 2.601 20 30 FFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001599348014 998044447 /nfs/dbraw/zinc/04/44/47/998044447.db2.gz QCUCEVPAWYCWOE-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C#N)cc1C(=O)[O-] ZINC001185312030 1002908896 /nfs/dbraw/zinc/90/88/96/1002908896.db2.gz HULVSRAJVGBBJF-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL CCOc1ccc(S(=O)(=O)[N-]c2sc(C)cc2C#N)cc1C(=O)[O-] ZINC001192608313 1004214486 /nfs/dbraw/zinc/21/44/86/1004214486.db2.gz KMXLTITVUDEPCQ-UHFFFAOYSA-N -2 0 366.420 2.826 20 30 FFEDRL O=C([O-])COc1ccc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806560180 1004361864 /nfs/dbraw/zinc/36/18/64/1004361864.db2.gz IZEARUFFWOUOGU-JZUUQJBKSA-N -2 0 352.342 2.988 20 30 FFEDRL N#Cc1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193972239 1004622471 /nfs/dbraw/zinc/62/24/71/1004622471.db2.gz YNFZSSMXUCQXPF-UHFFFAOYSA-N -2 0 360.775 2.911 20 30 FFEDRL N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188272272 1006495896 /nfs/dbraw/zinc/49/58/96/1006495896.db2.gz DGBWNJWELBNHAC-UHFFFAOYSA-N -2 0 372.189 2.759 20 30 FFEDRL COc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000757471783 1023822903 /nfs/dbraw/zinc/82/29/03/1023822903.db2.gz DULQKTDRCFGCRB-HYXAFXHYSA-N -2 0 373.317 2.912 20 30 FFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC001257818220 1038993307 /nfs/dbraw/zinc/99/33/07/1038993307.db2.gz PAIUQUHJJLDGMD-UHFFFAOYSA-N -2 0 359.226 2.889 20 30 FFEDRL N#Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259218514 1039810773 /nfs/dbraw/zinc/81/07/73/1039810773.db2.gz BZHYFMIIFVVNPQ-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL N#Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259220553 1039813828 /nfs/dbraw/zinc/81/38/28/1039813828.db2.gz MJEAJTCHFTVYLN-UHFFFAOYSA-N -2 0 370.745 2.555 20 30 FFEDRL C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183352 1040442849 /nfs/dbraw/zinc/44/28/49/1040442849.db2.gz MLFNAYXDHXWUFG-UHFFFAOYSA-N -2 0 374.494 2.810 20 30 FFEDRL N#Cc1cc(F)cc(-c2noc(-c3ccccc3OP(=O)([O-])[O-])n2)c1 ZINC001216745136 1042111576 /nfs/dbraw/zinc/11/15/76/1042111576.db2.gz XEIZFNNHKWOTIT-UHFFFAOYSA-N -2 0 361.225 2.886 20 30 FFEDRL Cc1ncc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1C#N ZINC000327667062 511878991 /nfs/dbraw/zinc/87/89/91/511878991.db2.gz ARFZMBYGNQNEIG-NSHDSACASA-N -2 0 359.407 2.641 20 30 FFEDRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1OC ZINC000328250011 511887479 /nfs/dbraw/zinc/88/74/79/511887479.db2.gz BKFBLEIXQKKQIJ-UHFFFAOYSA-N -2 0 360.391 2.628 20 30 FFEDRL CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000507933942 514615328 /nfs/dbraw/zinc/61/53/28/514615328.db2.gz JJFFJLHJHADKSI-UHFFFAOYSA-N -2 0 371.418 2.588 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])c(F)c1 ZINC000556702951 517584054 /nfs/dbraw/zinc/58/40/54/517584054.db2.gz GWZYJPVFPZOCBE-FZMZJTMJSA-N -2 0 372.393 2.538 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1C#N ZINC000738194972 599986090 /nfs/dbraw/zinc/98/60/90/599986090.db2.gz GJLMTWHXLXYQBV-CQSZACIVSA-N -2 0 371.418 2.717 20 30 FFEDRL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000740054287 600153676 /nfs/dbraw/zinc/15/36/76/600153676.db2.gz OKJMRYKHOABXCH-OVEPSTSESA-N -2 0 353.334 2.897 20 30 FFEDRL Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c(C(=O)[O-])[nH]1 ZINC000738463200 600395473 /nfs/dbraw/zinc/39/54/73/600395473.db2.gz DAGILTQSFURMKU-UHFFFAOYSA-N -2 0 373.312 2.713 20 30 FFEDRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)ccc1C(=O)[O-] ZINC000795336913 602119044 /nfs/dbraw/zinc/11/90/44/602119044.db2.gz XHLNIVPJROVCLR-UHFFFAOYSA-N -2 0 364.354 2.536 20 30 FFEDRL CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1cccc(C(=O)[O-])c1 ZINC000819783557 606988414 /nfs/dbraw/zinc/98/84/14/606988414.db2.gz ZLOKQTRFSITUEA-UHFFFAOYSA-N -2 0 369.385 2.687 20 30 FFEDRL CCn1c(=O)c2ccc(C([O-])=C(C#N)c3nc(C)cs3)cc2[n-]c1=S ZINC000122325349 728646477 /nfs/dbraw/zinc/64/64/77/728646477.db2.gz WASKBYBTNZFXHF-GFCCVEGCSA-N -2 0 370.459 2.960 20 30 FFEDRL C#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000753779594 736094141 /nfs/dbraw/zinc/09/41/41/736094141.db2.gz LSWIIUQLLQSLOM-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL COc1ccc(S(=O)(=O)[N-]c2c(C#N)oc3ccccc32)cc1C(=O)[O-] ZINC001185269585 1002893266 /nfs/dbraw/zinc/89/32/66/1002893266.db2.gz PDYAPGFNZYBYJS-UHFFFAOYSA-N -2 0 372.358 2.812 20 30 FFEDRL COc1ccc(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)cc1C(=O)[O-] ZINC001185313630 1002908933 /nfs/dbraw/zinc/90/89/33/1002908933.db2.gz BTRDTSPIQNRPQW-UHFFFAOYSA-N -2 0 360.391 2.683 20 30 FFEDRL N#Cc1cc(NS(=O)(=O)c2ccc(F)c(Br)c2)ccc1O ZINC001187003970 1003528404 /nfs/dbraw/zinc/52/84/04/1003528404.db2.gz JYOIAVBNXJJAGQ-UHFFFAOYSA-N -2 0 371.187 2.966 20 30 FFEDRL C#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1 ZINC001192408893 1004163986 /nfs/dbraw/zinc/16/39/86/1004163986.db2.gz AIBFKFNJOWCVEM-UHFFFAOYSA-N -2 0 371.201 2.869 20 30 FFEDRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)cc1C(=O)[O-] ZINC001116369431 1021182179 /nfs/dbraw/zinc/18/21/79/1021182179.db2.gz ZFTZXTLPOQMDSL-UHFFFAOYSA-N -2 0 364.354 2.536 20 30 FFEDRL COc1cc(C(=O)[O-])ccc1N=NCc1ccc(OCCC(=O)[O-])cc1 ZINC000756906071 1023767102 /nfs/dbraw/zinc/76/71/02/1023767102.db2.gz SLEZGDXDVSACIV-UHFFFAOYSA-N -2 0 358.350 2.693 20 30 FFEDRL O=C([O-])CCOc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000757474527 1023822851 /nfs/dbraw/zinc/82/28/51/1023822851.db2.gz UQJVGSKMKGVWQL-CLTKARDFSA-N -3 0 356.330 2.840 20 30 FFEDRL Cc1nn(-c2ccc(C#N)cc2)c(=NC(=O)c2cc(F)cc(Cl)c2[O-])[n-]1 ZINC001160836104 1027895013 /nfs/dbraw/zinc/89/50/13/1027895013.db2.gz AABMAEFTMURHQJ-UHFFFAOYSA-N -2 0 371.759 2.620 20 30 FFEDRL C=CCCC[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001588798032 1080200544 /nfs/dbraw/zinc/20/05/44/1080200544.db2.gz RRUBUMXVKABGCV-CYBMUJFWSA-N -2 0 363.801 2.771 20 30 FFEDRL Cc1c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cccc1C(=O)[O-] ZINC000129905415 508778509 /nfs/dbraw/zinc/77/85/09/508778509.db2.gz UUSPOXGTGFEZBU-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1)C(=O)[O-] ZINC000504681044 515355549 /nfs/dbraw/zinc/35/55/49/515355549.db2.gz RPFLXZYJEXIVBR-VIFPVBQESA-N -2 0 368.461 2.986 20 30 FFEDRL CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c(C(=O)[O-])c1 ZINC000463530237 515535214 /nfs/dbraw/zinc/53/52/14/515535214.db2.gz BGSLABXVJHWEIX-UHFFFAOYSA-N -2 0 360.391 2.628 20 30 FFEDRL COc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1OCCC(=O)[O-] ZINC000460751900 516238034 /nfs/dbraw/zinc/23/80/34/516238034.db2.gz CBRLAOCENTYESD-DJWKRKHSSA-N -2 0 368.345 2.684 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])c(F)c1 ZINC000548993905 517345960 /nfs/dbraw/zinc/34/59/60/517345960.db2.gz WJZMHJTYWJVZFH-CQSZACIVSA-N -2 0 372.393 2.538 20 30 FFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000736076386 600899308 /nfs/dbraw/zinc/89/93/08/600899308.db2.gz NJGFKNDXABRURJ-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL C=CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000825702749 601837484 /nfs/dbraw/zinc/83/74/84/601837484.db2.gz XSNNHYCTGCTIQX-UHFFFAOYSA-N -2 0 368.798 2.799 20 30 FFEDRL CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829809339 602308253 /nfs/dbraw/zinc/30/82/53/602308253.db2.gz XHFSTVURJYWCBV-UHFFFAOYSA-N -2 0 351.409 2.551 20 30 FFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833367183 605187069 /nfs/dbraw/zinc/18/70/69/605187069.db2.gz RRUZSPCNSVNHJZ-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749144679 735698325 /nfs/dbraw/zinc/69/83/25/735698325.db2.gz ZJWMSURNNDPPII-UHFFFAOYSA-N -2 0 364.354 2.513 20 30 FFEDRL N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cccc(C(=O)[O-])c1 ZINC001594600604 956121684 /nfs/dbraw/zinc/12/16/84/956121684.db2.gz ADPLIUSCMNIKDC-OAHLLOKOSA-N -2 0 356.765 2.677 20 30 FFEDRL N#Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(Br)n1 ZINC001176237637 1013655963 /nfs/dbraw/zinc/65/59/63/1013655963.db2.gz YOLNOHJENWYLHW-UHFFFAOYSA-N -2 0 362.139 2.856 20 30 FFEDRL COc1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc([N+](=O)[O-])c1[O-] ZINC000916157170 989751385 /nfs/dbraw/zinc/75/13/85/989751385.db2.gz OEVZARJIHNMLEH-WAYWQWQTSA-N -2 0 373.317 2.669 20 30 FFEDRL CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001598678733 994891210 /nfs/dbraw/zinc/89/12/10/994891210.db2.gz ZTWSYQMEVXJVGC-UHFFFAOYSA-N -2 0 365.798 2.752 20 30 FFEDRL N#Cc1cc(F)c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c(Cl)c1 ZINC001148926108 1001240819 /nfs/dbraw/zinc/24/08/19/1001240819.db2.gz DDAGQIBJJTWEPK-UHFFFAOYSA-N -2 0 370.745 2.555 20 30 FFEDRL CCOc1ccc(S(=O)(=O)[N-]c2scc(C)c2C#N)cc1C(=O)[O-] ZINC001192601838 1004212356 /nfs/dbraw/zinc/21/23/56/1004212356.db2.gz MLRFSZWRTCADCM-UHFFFAOYSA-N -2 0 366.420 2.826 20 30 FFEDRL Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193974609 1004622571 /nfs/dbraw/zinc/62/25/71/1004622571.db2.gz PCCCBWTUOWRPPJ-UHFFFAOYSA-N -2 0 369.761 2.553 20 30 FFEDRL N#Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194002191 1004637088 /nfs/dbraw/zinc/63/70/88/1004637088.db2.gz QCJKKYLNEKMMAL-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL N#Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC001194001366 1004637410 /nfs/dbraw/zinc/63/74/10/1004637410.db2.gz CMOYUQHWZNMPKR-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739767 1004717918 /nfs/dbraw/zinc/71/79/18/1004717918.db2.gz ZFRPBPPNWKHNHL-UHFFFAOYSA-N -2 0 374.494 2.810 20 30 FFEDRL Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195185111 1004904669 /nfs/dbraw/zinc/90/46/69/1004904669.db2.gz IHUKEWFJDSJCCW-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187589928 1006144860 /nfs/dbraw/zinc/14/48/60/1006144860.db2.gz UJGKXUHXHWDNHD-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL N#Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187579419 1006162425 /nfs/dbraw/zinc/16/24/25/1006162425.db2.gz ZQWKSLNFLPMMCS-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL C[C@H]1C[C@H](C(=O)[O-])CCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[nH]1 ZINC000814846833 1006448368 /nfs/dbraw/zinc/44/83/68/1006448368.db2.gz OJAQNLKIVDXOKU-VHSXEESVSA-N -2 0 360.418 2.576 20 30 FFEDRL 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1004214901 /nfs/dbraw/zinc/21/49/01/1004214901.db2.gz XOUGDLONTIAWCN-UHFFFAOYSA-N -2 0 352.393 2.517 20 30 FFEDRL O=C(Nc1[nH]c(=S)[nH]c(=O)c1N=Cc1ccccc1)c1ccncc1[O-] ZINC001188628723 1006662954 /nfs/dbraw/zinc/66/29/54/1006662954.db2.gz IRXDQQNETDWWTB-UFWORHAWSA-N -2 0 367.390 2.574 20 30 FFEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000757471793 1023823682 /nfs/dbraw/zinc/82/36/82/1023823682.db2.gz FDDNCDMUKHJYTA-XVNBXDOJSA-N -2 0 353.374 2.823 20 30 FFEDRL CCCCCCCCCCCCOC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001224585784 1033942675 /nfs/dbraw/zinc/94/26/75/1033942675.db2.gz ZYXAABJKIYYSBC-CQSZACIVSA-N -2 0 354.380 2.921 20 30 FFEDRL CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cc(C#N)c(F)cc1[O-])C(=O)C2 ZINC001258987086 1039641990 /nfs/dbraw/zinc/64/19/90/1039641990.db2.gz TWXGQDXZFSXPPU-PIGZYNQJSA-N -2 0 366.414 2.540 20 30 FFEDRL N#Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259218559 1039810605 /nfs/dbraw/zinc/81/06/05/1039810605.db2.gz DHJODJIHMKGKPH-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000134617829 508552026 /nfs/dbraw/zinc/55/20/26/508552026.db2.gz NIODGSUVQHIREO-UHFFFAOYSA-N -2 0 362.382 2.905 20 30 FFEDRL N#CCCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000324515712 511837724 /nfs/dbraw/zinc/83/77/24/511837724.db2.gz VMVUKNRXMLMZNQ-UHFFFAOYSA-N -2 0 366.420 2.930 20 30 FFEDRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435482113 513601030 /nfs/dbraw/zinc/60/10/30/513601030.db2.gz VHDXXBZMDFAOJK-UHFFFAOYSA-N -2 0 354.434 2.841 20 30 FFEDRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1)C(=O)[O-] ZINC000489354380 514810204 /nfs/dbraw/zinc/81/02/04/514810204.db2.gz LNXZNMSVPYUVEN-SECBINFHSA-N -2 0 352.393 2.517 20 30 FFEDRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000467754979 515105872 /nfs/dbraw/zinc/10/58/72/515105872.db2.gz QOHGCKWUVLVTLY-UHFFFAOYSA-N -2 0 372.305 2.560 20 30 FFEDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccc3)c2)c[nH]1 ZINC000509647077 515271076 /nfs/dbraw/zinc/27/10/76/515271076.db2.gz UJPHZPFVDNDLRM-UHFFFAOYSA-N -2 0 366.398 2.914 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000547871625 516610283 /nfs/dbraw/zinc/61/02/83/516610283.db2.gz AZHOEMXOWUZVDT-UHFFFAOYSA-N -2 0 360.391 2.683 20 30 FFEDRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000578710733 518335239 /nfs/dbraw/zinc/33/52/39/518335239.db2.gz XGRPYEIATDGEQR-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000830059782 601859907 /nfs/dbraw/zinc/85/99/07/601859907.db2.gz OVPDWPDNYKUJHM-UHFFFAOYSA-N -2 0 364.354 2.595 20 30 FFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833402886 605598433 /nfs/dbraw/zinc/59/84/33/605598433.db2.gz ZJTGCGHWACEGNC-SNVBAGLBSA-N -2 0 364.354 2.616 20 30 FFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001599347429 998033085 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30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000463524980 515534915 /nfs/dbraw/zinc/53/49/15/515534915.db2.gz HADXFTMKMZUVHP-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000463534824 515537542 /nfs/dbraw/zinc/53/75/42/515537542.db2.gz XYDDESPKPCQOSM-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)c(C(=O)[O-])c1 ZINC000555119023 516790946 /nfs/dbraw/zinc/79/09/46/516790946.db2.gz BGKIZLVHBHCTAD-UHFFFAOYSA-N -2 0 359.407 2.750 20 30 FFEDRL N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000609069461 520185525 /nfs/dbraw/zinc/18/55/25/520185525.db2.gz VGYOOLHVRCGEBL-UHFFFAOYSA-N -2 0 368.317 2.659 20 30 FFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000736089844 600900568 /nfs/dbraw/zinc/90/05/68/600900568.db2.gz QWAZITBTHQXFOD-UHFFFAOYSA-N -2 0 367.354 2.547 20 30 FFEDRL C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC000833371920 604762801 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2.793 20 30 FFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC001597055872 986536392 /nfs/dbraw/zinc/53/63/92/986536392.db2.gz MHDUEBPTDWIHPD-UHFFFAOYSA-N -2 0 364.379 2.611 20 30 FFEDRL COc1cc(/C=C\C(=O)c2cc(C(=O)[O-])cs2)ccc1OCC(=O)[O-] ZINC001599399555 997190092 /nfs/dbraw/zinc/19/00/92/997190092.db2.gz IGOVYPWZFISWEE-RQOWECAXSA-N -2 0 362.359 2.814 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1sc(C)c(C)c1C(=O)[O-] ZINC001599349845 998073994 /nfs/dbraw/zinc/07/39/94/998073994.db2.gz FQMGQZBRPWHBPB-UHFFFAOYSA-N -2 0 366.420 2.744 20 30 FFEDRL CC[C@@H](NN=Cc1cccc(OCc2ccccc2C(=O)[O-])c1)C(=O)[O-] ZINC000793082401 1003273121 /nfs/dbraw/zinc/27/31/21/1003273121.db2.gz XKGQFVYOYYOTFA-QGZVFWFLSA-N -2 0 356.378 2.751 20 30 FFEDRL N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195238858 1004931513 /nfs/dbraw/zinc/93/15/13/1004931513.db2.gz UKIJKDNTRBOTMO-UHFFFAOYSA-N -2 0 374.271 2.614 20 30 FFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188039996 1006368199 /nfs/dbraw/zinc/36/81/99/1006368199.db2.gz NKXRKSWWNRMHCR-UHFFFAOYSA-N -2 0 350.208 2.828 20 30 FFEDRL C=CC[C@@H](C)Oc1cc(S(=O)(=O)[O-])cc2cccc(S(=O)(=O)[O-])c21 ZINC001227551942 1035606802 /nfs/dbraw/zinc/60/68/02/1035606802.db2.gz TXJMAZMPMZYRCT-SNVBAGLBSA-N -2 0 372.420 2.677 20 30 FFEDRL Cc1coc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1C#N ZINC001259214144 1039807499 /nfs/dbraw/zinc/80/74/99/1039807499.db2.gz DTGORRNKHIXIBU-UHFFFAOYSA-N -2 0 358.734 2.751 20 30 FFEDRL N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259219835 1039810943 /nfs/dbraw/zinc/81/09/43/1039810943.db2.gz HVUQHTVGYLCWOU-UHFFFAOYSA-N -2 0 370.745 2.555 20 30 FFEDRL N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260871481 1040859819 /nfs/dbraw/zinc/85/98/19/1040859819.db2.gz OAMGDASVDRMICI-UHFFFAOYSA-N -2 0 362.169 2.906 20 30 FFEDRL C#Cc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c(Cl)c1 ZINC001558644176 1076047785 /nfs/dbraw/zinc/04/77/85/1076047785.db2.gz YSKILGJGSNJXCS-UHFFFAOYSA-N -2 0 354.753 2.631 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000463790922 515617404 /nfs/dbraw/zinc/61/74/04/515617404.db2.gz RPGSMELJQPTSDF-LBPRGKRZSA-N -2 0 374.418 2.946 20 30 FFEDRL CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000469046689 515644743 /nfs/dbraw/zinc/64/47/43/515644743.db2.gz UHCOGXYFQPXTCL-UHFFFAOYSA-N -2 0 363.370 2.628 20 30 FFEDRL N#CC1(CS(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2F)CCCCC1 ZINC000547914639 516631904 /nfs/dbraw/zinc/63/19/04/516631904.db2.gz JEMUDQNLZXVUTE-OAHLLOKOSA-N -2 0 368.430 2.735 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])c(F)c1 ZINC000556702952 517583337 /nfs/dbraw/zinc/58/33/37/517583337.db2.gz GWZYJPVFPZOCBE-RISCZKNCSA-N -2 0 372.393 2.538 20 30 FFEDRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000535137449 518156799 /nfs/dbraw/zinc/15/67/99/518156799.db2.gz KTAMLWMGXVHBNA-UHFFFAOYSA-N -2 0 364.354 2.513 20 30 FFEDRL CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000830635119 601881684 /nfs/dbraw/zinc/88/16/84/601881684.db2.gz HXHVGFORVUYYGE-BJMVGYQFSA-N -2 0 371.418 2.523 20 30 FFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000830655021 605830966 /nfs/dbraw/zinc/83/09/66/605830966.db2.gz GJJBMQGSVYZPJY-GFCCVEGCSA-N -2 0 373.390 2.883 20 30 FFEDRL N#CC(=C([O-])c1cnc(NC(=O)[O-])cn1)c1nc2cc(F)ccc2s1 ZINC000833961785 606014079 /nfs/dbraw/zinc/01/40/79/606014079.db2.gz VAGKVNLCMGZVFO-QMMMGPOBSA-N -2 0 357.326 2.805 20 30 FFEDRL N#CC(=C([O-])c1cnc(C(=O)[O-])cn1)c1nc(-c2ccccc2)cs1 ZINC001601047567 970921577 /nfs/dbraw/zinc/92/15/77/970921577.db2.gz UWPVKLFKCUBKGO-NSHDSACASA-N -2 0 350.359 2.788 20 30 FFEDRL CC[C@@H](NC(=O)C(C#N)=C([O-])c1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC001595232872 980128046 /nfs/dbraw/zinc/12/80/46/980128046.db2.gz KXKMXJHOLVSXHQ-HUUCEWRRSA-N -2 0 354.362 2.876 20 30 FFEDRL CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(=O)[O-])no2)cc1 ZINC001595797485 982606747 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2.752 20 30 FFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000511110617 515784531 /nfs/dbraw/zinc/78/45/31/515784531.db2.gz YMIWUDPFLDMJMZ-UHFFFAOYSA-N -2 0 374.418 2.775 20 30 FFEDRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000464839832 515984178 /nfs/dbraw/zinc/98/41/78/515984178.db2.gz ZSVVORQVSPSHEZ-UHFFFAOYSA-N -2 0 366.395 2.918 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c(F)c1 ZINC000547870302 516610462 /nfs/dbraw/zinc/61/04/62/516610462.db2.gz NRZLNVKWSLUPGV-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCCCC[C@H]2C(=O)[O-])c(F)c1 ZINC000548241226 516847155 /nfs/dbraw/zinc/84/71/55/516847155.db2.gz UOFITBAWRMUEQH-BXUZGUMPSA-N -2 0 372.393 2.538 20 30 FFEDRL COc1ccc([C@H](CC(=O)[O-])/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000737951490 600494836 /nfs/dbraw/zinc/49/48/36/600494836.db2.gz VUZOEZGZUTYLHJ-VAODSVERSA-N -2 0 374.349 2.953 20 30 FFEDRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(CNC(=O)[O-])c1 ZINC000740311174 603047004 /nfs/dbraw/zinc/04/70/04/603047004.db2.gz NXOLZUBJVLSMPF-UHFFFAOYSA-N -2 0 365.798 2.780 20 30 FFEDRL C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)c1 ZINC000504222323 729924217 /nfs/dbraw/zinc/92/42/17/729924217.db2.gz CXELDSKMLONVCY-UHFFFAOYSA-N -2 0 350.396 2.572 20 30 FFEDRL O=C([O-])c1cccc(NN=Cc2ccc(OC(F)(F)C(=O)[O-])cc2)c1 ZINC000730722028 734646306 /nfs/dbraw/zinc/64/63/06/734646306.db2.gz MHSGIXWHEJOGCN-UHFFFAOYSA-N -2 0 350.277 2.887 20 30 FFEDRL CN(Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1)C(=O)[O-] ZINC000739712764 735057516 /nfs/dbraw/zinc/05/75/16/735057516.db2.gz LHUITXNIMVOFSU-UHFFFAOYSA-N -2 0 363.370 2.608 20 30 FFEDRL Cn1c(=O)sc2cc(/C=C/C(=O)c3cc(C(=O)[O-])ccc3[O-])ccc21 ZINC000773144131 737875090 /nfs/dbraw/zinc/87/50/90/737875090.db2.gz YNDZHCMYDQAGIB-ZZXKWVIFSA-N -2 0 355.371 2.900 20 30 FFEDRL N#CC(=C([O-])c1cnc(C(=O)[O-])cn1)c1nc(-c2ccccc2)cs1 ZINC001601047566 970921971 /nfs/dbraw/zinc/92/19/71/970921971.db2.gz UWPVKLFKCUBKGO-LLVKDONJSA-N -2 0 350.359 2.788 20 30 FFEDRL N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cccc(C(=O)[O-])c1 ZINC001594600603 956121636 /nfs/dbraw/zinc/12/16/36/956121636.db2.gz ADPLIUSCMNIKDC-HNNXBMFYSA-N -2 0 356.765 2.677 20 30 FFEDRL CC(C)c1sc([N-]S(=O)(=O)c2cccc(C#N)c2)nc1C(=O)[O-] ZINC001592116917 976917756 /nfs/dbraw/zinc/91/77/56/976917756.db2.gz IRGRIEJMNGRUFK-UHFFFAOYSA-N -2 0 351.409 2.637 20 30 FFEDRL CC[C@](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)(C(=O)[O-])c1ccccc1 ZINC001595262996 980265242 /nfs/dbraw/zinc/26/52/42/980265242.db2.gz BATSUKVHUVADGK-GOSISDBHSA-N -2 0 371.418 2.501 20 30 FFEDRL CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)s1 ZINC001597423547 987745435 /nfs/dbraw/zinc/74/54/35/987745435.db2.gz DIFHMJDFQOPVKJ-UHFFFAOYSA-N -2 0 366.420 2.690 20 30 FFEDRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)cc1C(=O)[O-] ZINC001184702743 1002686981 /nfs/dbraw/zinc/68/69/81/1002686981.db2.gz BKPGCIJMOUTNMV-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192142370 1004078915 /nfs/dbraw/zinc/07/89/15/1004078915.db2.gz NBFMRSPLFACAIB-UHFFFAOYSA-N -2 0 366.345 2.654 20 30 FFEDRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C#N)cc1C(=O)[O-] ZINC001192640388 1004231098 /nfs/dbraw/zinc/23/10/98/1004231098.db2.gz ZXJXAXBVAXVQGF-UHFFFAOYSA-N -2 0 360.391 2.764 20 30 FFEDRL COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])cc([N+](=O)[O-])c1[O-] ZINC000806559218 1004361324 /nfs/dbraw/zinc/36/13/24/1004361324.db2.gz WZDDYBKAEIYNPS-DJWKRKHSSA-N -3 0 359.290 2.609 20 30 FFEDRL C#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1F ZINC001187581037 1006162622 /nfs/dbraw/zinc/16/26/22/1006162622.db2.gz GRECUQUQYGJKHX-UHFFFAOYSA-N -2 0 353.758 2.959 20 30 FFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1 ZINC001259212567 1039805477 /nfs/dbraw/zinc/80/54/77/1039805477.db2.gz SQIWXWOTLDVFBY-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL N#Cc1c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)sc2ccccc21 ZINC001260393782 1040577318 /nfs/dbraw/zinc/57/73/18/1040577318.db2.gz VBFYECVGZVDTBB-UHFFFAOYSA-N -2 0 374.399 2.978 20 30 FFEDRL Cc1cc(COS(C)(=O)=O)ccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163869 1044692775 /nfs/dbraw/zinc/69/27/75/1044692775.db2.gz PKRWPEGLIOIGRC-UHFFFAOYSA-N -2 0 364.375 2.535 20 30 FFEDRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc(C#N)s2)cccc1C(=O)[O-] ZINC000410402474 512254541 /nfs/dbraw/zinc/25/45/41/512254541.db2.gz PNODXBIOVMATPG-UHFFFAOYSA-N -2 0 366.420 2.906 20 30 FFEDRL N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000132201000 509004740 /nfs/dbraw/zinc/00/47/40/509004740.db2.gz LSGHSGDTTVVMBG-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000323462063 511830730 /nfs/dbraw/zinc/83/07/30/511830730.db2.gz WKTUROBQCHJATQ-UHFFFAOYSA-N -2 0 350.421 2.783 20 30 FFEDRL C=CCOc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436718077 513954831 /nfs/dbraw/zinc/95/48/31/513954831.db2.gz DBZRJVJKCJJSAG-UHFFFAOYSA-N -2 0 363.391 2.764 20 30 FFEDRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1)C(=O)[O-] ZINC000504658740 515349384 /nfs/dbraw/zinc/34/93/84/515349384.db2.gz ZWWMLXYCJJFECP-NSHDSACASA-N -2 0 362.432 2.924 20 30 FFEDRL O=C([O-])c1cccc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)c1 ZINC000774119844 598201677 /nfs/dbraw/zinc/20/16/77/598201677.db2.gz OGTSGNDRXXCONJ-GQCTYLIASA-N -2 0 367.401 2.819 20 30 FFEDRL CCC1CCC([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])CC1 ZINC000829112795 601985351 /nfs/dbraw/zinc/98/53/51/601985351.db2.gz NXEWCSJABIQDKY-UHFFFAOYSA-N -2 0 372.393 2.538 20 30 FFEDRL CC(C)NC(=O)C(C#N)=C([O-])c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826972006 602031515 /nfs/dbraw/zinc/03/15/15/602031515.db2.gz VHPVABTVBLIVLE-LLVKDONJSA-N -2 0 357.288 2.642 20 30 FFEDRL N#Cc1nc(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)[n-]c1C#N ZINC000833078811 602142872 /nfs/dbraw/zinc/14/28/72/602142872.db2.gz PVYGZUGULPAUIT-UHFFFAOYSA-N -2 0 364.243 2.514 20 30 FFEDRL C=C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833371987 604773036 /nfs/dbraw/zinc/77/30/36/604773036.db2.gz YVRDBGGVWQBXDQ-HNNXBMFYSA-N -2 0 373.430 2.691 20 30 FFEDRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000779849563 738490177 /nfs/dbraw/zinc/49/01/77/738490177.db2.gz WHNHMEWCJLABGR-VIFPVBQESA-N -2 0 366.420 2.846 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000775298322 738081715 /nfs/dbraw/zinc/08/17/15/738081715.db2.gz QCHHRGZPTGFWFX-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790382292 739445950 /nfs/dbraw/zinc/44/59/50/739445950.db2.gz AGHCXOUGYSTHFB-UHFFFAOYSA-N -2 0 365.794 2.829 20 30 FFEDRL N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(OC(F)(F)C(=O)[O-])cc1 ZINC001116007662 1032063258 /nfs/dbraw/zinc/06/32/58/1032063258.db2.gz RJSYKPPHVHCHPX-CLTKARDFSA-N -2 0 360.272 2.878 20 30 FFEDRL COC(=O)c1sc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C#N)c1C ZINC001176237635 1013656405 /nfs/dbraw/zinc/65/64/05/1013656405.db2.gz YOFQYBWHDVPKQZ-UHFFFAOYSA-N -2 0 360.347 2.855 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1C#N ZINC001604958361 972538831 /nfs/dbraw/zinc/53/88/31/972538831.db2.gz MIWQHIOCYXCFJY-UHFFFAOYSA-N -2 0 369.402 2.672 20 30 FFEDRL N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186188633 1003212193 /nfs/dbraw/zinc/21/21/93/1003212193.db2.gz OPSWCBAZVBNZMZ-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cs1 ZINC001193975380 1004623529 /nfs/dbraw/zinc/62/35/29/1004623529.db2.gz VKKBAHXFNVGXAC-UHFFFAOYSA-N -2 0 360.775 2.911 20 30 FFEDRL C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[nH]1 ZINC000814846834 1006447359 /nfs/dbraw/zinc/44/73/59/1006447359.db2.gz OJAQNLKIVDXOKU-ZJUUUORDSA-N -2 0 360.418 2.576 20 30 FFEDRL COc1cc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1[O-] ZINC000749591198 1021011377 /nfs/dbraw/zinc/01/13/77/1021011377.db2.gz RRCUBTLGMLAEPP-DUXPYHPUSA-N -2 0 360.278 2.819 20 30 FFEDRL Cc1c(F)ccc2nc(Cl)c(C#N)c(NCCOP(=O)([O-])[O-])c12 ZINC001157795911 1029666258 /nfs/dbraw/zinc/66/62/58/1029666258.db2.gz XONYESVIZPVZAF-UHFFFAOYSA-N -2 0 359.681 2.729 20 30 FFEDRL N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251398380 1039110821 /nfs/dbraw/zinc/11/08/21/1039110821.db2.gz NMCUOQWBDXRJRB-UHFFFAOYSA-N -2 0 362.169 2.906 20 30 FFEDRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC001589641576 1080647277 /nfs/dbraw/zinc/64/72/77/1080647277.db2.gz YTCOAJRTVYTTKY-UHFFFAOYSA-N -2 0 350.421 2.783 20 30 FFEDRL COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C(=O)[O-])c1 ZINC000326386212 511857838 /nfs/dbraw/zinc/85/78/38/511857838.db2.gz ZVOXQQFABVSNJJ-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000468821346 515535520 /nfs/dbraw/zinc/53/55/20/515535520.db2.gz DTMCVFMQMYRBKO-UHFFFAOYSA-N -2 0 351.409 2.551 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-] ZINC000548211741 516829525 /nfs/dbraw/zinc/82/95/25/516829525.db2.gz KGXCMRSQJIGCRS-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-] ZINC000560079095 517568415 /nfs/dbraw/zinc/56/84/15/517568415.db2.gz YEBLSXSKGGLRCD-INIZCTEOSA-N -2 0 374.409 2.784 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])c(F)c1 ZINC000556702950 517583776 /nfs/dbraw/zinc/58/37/76/517583776.db2.gz GWZYJPVFPZOCBE-BXUZGUMPSA-N -2 0 372.393 2.538 20 30 FFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000829828664 604252106 /nfs/dbraw/zinc/25/21/06/604252106.db2.gz UXVVBAXEBZPSJY-ZDUSSCGKSA-N -2 0 353.378 2.948 20 30 FFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833402367 605598151 /nfs/dbraw/zinc/59/81/51/605598151.db2.gz KKODMEWTSYXNFH-VIFPVBQESA-N -2 0 352.393 2.538 20 30 FFEDRL CC[C@@H](NN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC001595306129 980454991 /nfs/dbraw/zinc/45/49/91/980454991.db2.gz UPSKTTXWRJUJBZ-QGZVFWFLSA-N -2 0 356.378 2.751 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1C#N ZINC001599804711 988236148 /nfs/dbraw/zinc/23/61/48/988236148.db2.gz OLTAIWDZPLLTSU-UHFFFAOYSA-N -2 0 363.782 2.985 20 30 FFEDRL CN(Cc1nc(=O)c2sccc2[n-]1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598538161 992865645 /nfs/dbraw/zinc/86/56/45/992865645.db2.gz GMLZHSDVDZFYHD-UHFFFAOYSA-N -2 0 354.391 2.599 20 30 FFEDRL COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c([O-])c1 ZINC001599479077 998578553 /nfs/dbraw/zinc/57/85/53/998578553.db2.gz ZRRZIXIXHIQYJF-KXFIGUGUSA-N -2 0 373.317 2.669 20 30 FFEDRL C[C@@H](Oc1cccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c1)C(=O)[O-] ZINC000733207135 998926995 /nfs/dbraw/zinc/92/69/95/998926995.db2.gz VIFWIPFIUSGOAM-MMQHEFTJSA-N -2 0 370.357 2.898 20 30 FFEDRL COc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1CC(=O)[O-] ZINC000733206418 998927055 /nfs/dbraw/zinc/92/70/55/998927055.db2.gz JDFIUPPPNWYJSW-ALCCZGGFSA-N -2 0 370.357 2.682 20 30 FFEDRL N#Cc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192401910 1004162694 /nfs/dbraw/zinc/16/26/94/1004162694.db2.gz KHNPOJMYLHRKEJ-UHFFFAOYSA-N -2 0 372.189 2.759 20 30 FFEDRL N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1O ZINC001194011465 1004630212 /nfs/dbraw/zinc/63/02/12/1004630212.db2.gz DSLRAYPSTIWVHV-UHFFFAOYSA-N -2 0 370.745 2.555 20 30 FFEDRL N#Cc1c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])sc2c1CCCC2 ZINC001198730275 1004713921 /nfs/dbraw/zinc/71/39/21/1004713921.db2.gz KKEJZRRBLXQSLI-UHFFFAOYSA-N -2 0 362.432 2.998 20 30 FFEDRL N#Cc1nc2ccc(NS(=O)(=O)c3ccccc3C(=O)[O-])cc2s1 ZINC001198779110 1004736471 /nfs/dbraw/zinc/73/64/71/1004736471.db2.gz LFMDNQGFZDHZRO-UHFFFAOYSA-N -2 0 359.388 2.667 20 30 FFEDRL COc1ccc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187582473 1006163635 /nfs/dbraw/zinc/16/36/35/1006163635.db2.gz SGVDTNSGZFCMRK-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL C[C@H]1C(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)CC[C@H]1CC(=O)[O-] ZINC000814847062 1006448156 /nfs/dbraw/zinc/44/81/56/1006448156.db2.gz YPDJRMSBRODBLX-ZJUUUORDSA-N -2 0 360.418 2.576 20 30 FFEDRL N=C(Cc1cccc(C(F)(F)F)c1)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180176995 1009572629 /nfs/dbraw/zinc/57/26/29/1009572629.db2.gz VVDNJBNKZYLOOR-UHFFFAOYSA-N -2 0 374.212 2.697 20 30 FFEDRL N#Cc1ccc([O-])c(NC(=O)/C=C/C=C\C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000774079443 1010462011 /nfs/dbraw/zinc/46/20/11/1010462011.db2.gz AWLQLFBGHUVOJG-HSFFGMMNSA-N -2 0 374.356 2.531 20 30 FFEDRL COc1cc(C(=O)[O-])ccc1N=NCc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000756901746 1023766932 /nfs/dbraw/zinc/76/69/32/1023766932.db2.gz ZMJVMDUIABHSQE-LLVKDONJSA-N -2 0 358.350 2.691 20 30 FFEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c1 ZINC000177990639 510362861 /nfs/dbraw/zinc/36/28/61/510362861.db2.gz RWTBOTJRTDXRMY-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL Cc1ncc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])CCCC3)cc1C#N ZINC000427315128 514180773 /nfs/dbraw/zinc/18/07/73/514180773.db2.gz MGXGCOZVHSWQRF-UHFFFAOYSA-N -2 0 371.418 2.640 20 30 FFEDRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000545917746 517433944 /nfs/dbraw/zinc/43/39/44/517433944.db2.gz FCMOKCKRGBGUOT-UHFFFAOYSA-N -2 0 360.391 2.628 20 30 FFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000546707048 517809389 /nfs/dbraw/zinc/80/93/89/517809389.db2.gz DFACMVSQOPXPII-UHFFFAOYSA-N -2 0 364.354 2.513 20 30 FFEDRL CCC[C@H](CCCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-] ZINC000576659855 518698617 /nfs/dbraw/zinc/69/86/17/518698617.db2.gz GTOYOSXXCGMYHC-GFCCVEGCSA-N -2 0 374.409 2.786 20 30 FFEDRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000565322992 518897885 /nfs/dbraw/zinc/89/78/85/518897885.db2.gz ADPAGBBPYMDEEZ-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL O=C([O-])COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1 ZINC000060078865 600614200 /nfs/dbraw/zinc/61/42/00/600614200.db2.gz JATPGTOTNVAZRJ-RUDMXATFSA-N -2 0 356.330 2.510 20 30 FFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000736089767 600900601 /nfs/dbraw/zinc/90/06/01/600900601.db2.gz PPNOPLRUDFIXQI-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000779847813 605164335 /nfs/dbraw/zinc/16/43/35/605164335.db2.gz DXJJBQDMHZWYID-JTQLQIEISA-N -2 0 364.354 2.616 20 30 FFEDRL CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cccc(C(=O)[O-])c2)o1 ZINC000819782294 606988380 /nfs/dbraw/zinc/98/83/80/606988380.db2.gz KYXDEJOYOYIREG-UHFFFAOYSA-N -2 0 355.358 2.512 20 30 FFEDRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc1C(=O)[O-] ZINC000794867167 739937351 /nfs/dbraw/zinc/93/73/51/739937351.db2.gz UVUKSGUZSVMDGR-UHFFFAOYSA-N -2 0 366.782 2.725 20 30 FFEDRL N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC000808115473 741188560 /nfs/dbraw/zinc/18/85/60/741188560.db2.gz FWVFGVLLWWIDFS-UHFFFAOYSA-N -2 0 371.733 2.765 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1C#N ZINC001604958221 972538462 /nfs/dbraw/zinc/53/84/62/972538462.db2.gz HVXDKZDZBLNUTO-GFCCVEGCSA-N -2 0 369.402 2.599 20 30 FFEDRL COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1CC(=O)[O-] ZINC000733206419 998927259 /nfs/dbraw/zinc/92/72/59/998927259.db2.gz JDFIUPPPNWYJSW-FNORWQNLSA-N -2 0 370.357 2.682 20 30 FFEDRL Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193971979 1004622712 /nfs/dbraw/zinc/62/27/12/1004622712.db2.gz QPENREMTYKJOHY-UHFFFAOYSA-N -2 0 369.761 2.553 20 30 FFEDRL N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194011687 1004630131 /nfs/dbraw/zinc/63/01/31/1004630131.db2.gz LKNXKKADEMWMEK-UHFFFAOYSA-N -2 0 370.745 2.555 20 30 FFEDRL N#Cc1c(F)cc(Br)cc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195805265 1005048353 /nfs/dbraw/zinc/04/83/53/1005048353.db2.gz CTTJFOFOGYWTRD-UHFFFAOYSA-N -2 0 371.187 2.966 20 30 FFEDRL CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189860773 1007309282 /nfs/dbraw/zinc/30/92/82/1007309282.db2.gz NHXRGNNQWIQYBN-UHFFFAOYSA-N -2 0 363.310 2.839 20 30 FFEDRL C[C@@H](C#N)c1ccc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)cc1 ZINC001189933775 1007377530 /nfs/dbraw/zinc/37/75/30/1007377530.db2.gz KQDUIGFASYCJNL-JTQLQIEISA-N -2 0 374.374 2.511 20 30 FFEDRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c(C#N)c1 ZINC001259213816 1039808348 /nfs/dbraw/zinc/80/83/48/1039808348.db2.gz NOCNGNDLTPKWRN-UHFFFAOYSA-N -2 0 369.761 2.553 20 30 FFEDRL COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1C#N ZINC001261059346 1040966470 /nfs/dbraw/zinc/96/64/70/1040966470.db2.gz GYBYEFVWWNCDEQ-UHFFFAOYSA-N -2 0 372.811 2.566 20 30 FFEDRL C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(O)c3F)cc2[n-]c1=S ZINC001324549552 1046096364 /nfs/dbraw/zinc/09/63/64/1046096364.db2.gz FJMRAXURBYAROL-UHFFFAOYSA-N -2 0 371.393 2.968 20 30 FFEDRL C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001588782248 1080194654 /nfs/dbraw/zinc/19/46/54/1080194654.db2.gz AQIHRMORUMVESL-UHFFFAOYSA-N -2 0 365.329 2.565 20 30 FFEDRL N#CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000323406335 511830195 /nfs/dbraw/zinc/83/01/95/511830195.db2.gz OTQTVPGZEQKABD-UHFFFAOYSA-N -2 0 350.783 2.905 20 30 FFEDRL N#CC1(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])CCCCC1 ZINC000547938015 516643538 /nfs/dbraw/zinc/64/35/38/516643538.db2.gz JURSHUCOFOPDNY-UHFFFAOYSA-N -2 0 367.383 2.509 20 30 FFEDRL C[C@@H](Oc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1)C(=O)[O-] ZINC000827884324 602112714 /nfs/dbraw/zinc/11/27/14/602112714.db2.gz DUMXMCZINMKWTM-SOZJPDODSA-N -3 0 356.330 2.838 20 30 FFEDRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000760361391 602119270 /nfs/dbraw/zinc/11/92/70/602119270.db2.gz VQKOVLWOAFLBCW-UHFFFAOYSA-N -2 0 364.354 2.536 20 30 FFEDRL COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)ccc1OCC(=O)[O-] ZINC000831976814 604627387 /nfs/dbraw/zinc/62/73/87/604627387.db2.gz PTRFRUOLMJVOBW-WAPJZHGLSA-N -2 0 356.330 2.753 20 30 FFEDRL Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc(OCC(=O)[O-])cc1)CC2 ZINC000833741319 605147320 /nfs/dbraw/zinc/14/73/20/605147320.db2.gz HMUKAYUVBMDYBG-WQLSENKSSA-N -2 0 356.330 2.962 20 30 FFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000779844403 605597260 /nfs/dbraw/zinc/59/72/60/605597260.db2.gz IGFZIENTVLOPDC-JTQLQIEISA-N -2 0 364.354 2.616 20 30 FFEDRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000779849560 738490293 /nfs/dbraw/zinc/49/02/93/738490293.db2.gz WHNHMEWCJLABGR-SECBINFHSA-N -2 0 366.420 2.846 20 30 FFEDRL COc1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)ccc1OCC(=O)[O-] ZINC000730149494 734617880 /nfs/dbraw/zinc/61/78/80/734617880.db2.gz IXSTXWCBQWTJLC-RQOWECAXSA-N -2 0 362.359 2.814 20 30 FFEDRL Cc1nn(C)c(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])c1Br ZINC000806558380 741069292 /nfs/dbraw/zinc/06/92/92/741069292.db2.gz BAHRQQWUQJZIAM-WAYWQWQTSA-N -2 0 365.183 2.791 20 30 FFEDRL COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1CC(=O)[O-] ZINC000916547031 989818054 /nfs/dbraw/zinc/81/80/54/989818054.db2.gz XPJUZVRKAZMEOV-YWEYNIOJSA-N -2 0 370.357 2.682 20 30 FFEDRL COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])ccc1OCC#N ZINC000806561786 1004362475 /nfs/dbraw/zinc/36/24/75/1004362475.db2.gz ZWVAFAOEQLTIOD-KXFIGUGUSA-N -2 0 353.330 2.897 20 30 FFEDRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1C#N ZINC001195234932 1004912470 /nfs/dbraw/zinc/91/24/70/1004912470.db2.gz TXBOVMNYJHPLNK-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195236103 1004913229 /nfs/dbraw/zinc/91/32/29/1004913229.db2.gz IPEPUKUYCZTEGV-UHFFFAOYSA-N -2 0 374.271 2.614 20 30 FFEDRL N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc(F)c1F ZINC001195236245 1004913258 /nfs/dbraw/zinc/91/32/58/1004913258.db2.gz QCDAYCBGEKJXHO-UHFFFAOYSA-N -2 0 374.271 2.614 20 30 FFEDRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1C#N ZINC001187582412 1006163525 /nfs/dbraw/zinc/16/35/25/1006163525.db2.gz RLJLTKHRSGQUDF-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL CCn1c(=O)c2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cc2[n-]c1=S ZINC000748411723 1017202678 /nfs/dbraw/zinc/20/26/78/1017202678.db2.gz XQNJRPFORMURCD-UHFFFAOYSA-N -2 0 366.402 2.535 20 30 FFEDRL COc1cc(C(=O)[O-])ccc1N=NCc1cn(CC(=O)[O-])c2ccccc12 ZINC000799884405 1031921750 /nfs/dbraw/zinc/92/17/50/1031921750.db2.gz DLHBMJRSYYZULB-UHFFFAOYSA-N -2 0 367.361 2.879 20 30 FFEDRL C=CC[C@@H](C)Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1S(=O)(=O)[O-] ZINC001234184101 1036958861 /nfs/dbraw/zinc/95/88/61/1036958861.db2.gz KYDFUMZVRCTCDK-SNVBAGLBSA-N -2 0 372.420 2.677 20 30 FFEDRL CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc(C#N)c(F)cc1[O-])C(=O)C2 ZINC001258973709 1039629889 /nfs/dbraw/zinc/62/98/89/1039629889.db2.gz TWXGQDXZFSXPPU-GTNSWQLSSA-N -2 0 366.414 2.540 20 30 FFEDRL N#Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259218601 1039810827 /nfs/dbraw/zinc/81/08/27/1039810827.db2.gz FQORYCSZVXGQEZ-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1)C(=O)[O-] ZINC000435482961 513601882 /nfs/dbraw/zinc/60/18/82/513601882.db2.gz PGULDUTZAYWXSR-JTQLQIEISA-N -2 0 350.421 2.684 20 30 FFEDRL CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000438756347 514435576 /nfs/dbraw/zinc/43/55/76/514435576.db2.gz IMPSJWLDKOSWIO-UHFFFAOYSA-N -2 0 365.436 2.941 20 30 FFEDRL COc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c(Cl)cc1C(=O)[O-] ZINC000485285289 514982693 /nfs/dbraw/zinc/98/26/93/514982693.db2.gz BAQZXNKJDBHEKX-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL COc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)ccc1OCCC(=O)[O-] ZINC000460751901 516238354 /nfs/dbraw/zinc/23/83/54/516238354.db2.gz CBRLAOCENTYESD-GORDUTHDSA-N -2 0 368.345 2.684 20 30 FFEDRL COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(C(=O)[O-])c1 ZINC000548244401 516848699 /nfs/dbraw/zinc/84/86/99/516848699.db2.gz NXAIMLAPHHSHEH-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000740054283 600153861 /nfs/dbraw/zinc/15/38/61/600153861.db2.gz OKJMRYKHOABXCH-HSGPEQJXSA-N -2 0 353.334 2.897 20 30 FFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000830655184 603959981 /nfs/dbraw/zinc/95/99/81/603959981.db2.gz JXOPSSIMLPGOMB-LBPRGKRZSA-N -2 0 373.390 2.883 20 30 FFEDRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000130144881 728715396 /nfs/dbraw/zinc/71/53/96/728715396.db2.gz SIFFQDKWLPKPHH-UHFFFAOYSA-N -2 0 366.345 2.898 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000775296058 738080761 /nfs/dbraw/zinc/08/07/61/738080761.db2.gz QDLRUWYDYLZSCS-UHFFFAOYSA-N -2 0 365.794 2.851 20 30 FFEDRL CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000798246442 740316427 /nfs/dbraw/zinc/31/64/27/740316427.db2.gz CPYCJSREMTYVOW-UHFFFAOYSA-N -2 0 363.370 2.547 20 30 FFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)c2cc([S-])ccc2F)n1 ZINC000798725004 740359673 /nfs/dbraw/zinc/35/96/73/740359673.db2.gz SQSUEVSUMRLHJS-LLVKDONJSA-N -2 0 350.396 2.913 20 30 FFEDRL CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)s1 ZINC001597424171 987747026 /nfs/dbraw/zinc/74/70/26/987747026.db2.gz LQXJWIHRGTTXOT-UHFFFAOYSA-N -2 0 366.420 2.690 20 30 FFEDRL N#Cc1c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])sc2ccccc12 ZINC001148916649 1001234392 /nfs/dbraw/zinc/23/43/92/1001234392.db2.gz APTRZKJSVIDWKF-UHFFFAOYSA-N -2 0 374.399 2.978 20 30 FFEDRL CCOc1ccc(S(=O)(=O)[N-]c2oc(C)c(C)c2C#N)cc1C(=O)[O-] ZINC001192608956 1004215023 /nfs/dbraw/zinc/21/50/23/1004215023.db2.gz MZAGPLAAFPAOQH-UHFFFAOYSA-N -2 0 364.379 2.666 20 30 FFEDRL C#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1F ZINC001195246177 1004922595 /nfs/dbraw/zinc/92/25/95/1004922595.db2.gz YAUZWILMGXEHGV-UHFFFAOYSA-N -2 0 355.293 2.584 20 30 FFEDRL C[C@H]1C(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)CC[C@@H]1CC(=O)[O-] ZINC000814847059 1006447928 /nfs/dbraw/zinc/44/79/28/1006447928.db2.gz YPDJRMSBRODBLX-NXEZZACHSA-N -2 0 360.418 2.576 20 30 FFEDRL N#Cc1ccc([O-])c([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000783837450 1030298720 /nfs/dbraw/zinc/29/87/20/1030298720.db2.gz LIOUBPGTMBDSNC-UHFFFAOYSA-N -2 0 373.365 3.000 20 30 FFEDRL N#Cc1ccc([O-])c(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])c1 ZINC001137934453 1033380656 /nfs/dbraw/zinc/38/06/56/1033380656.db2.gz YIKLUUMTOZIHNW-UHFFFAOYSA-N -2 0 356.288 2.686 20 30 FFEDRL Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260215883 1040467386 /nfs/dbraw/zinc/46/73/86/1040467386.db2.gz FEYUHGHFRHELSR-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221642 1040472652 /nfs/dbraw/zinc/47/26/52/1040472652.db2.gz LAYGZEOTIAHNEF-UHFFFAOYSA-N -2 0 374.494 2.810 20 30 FFEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000177990465 510363104 /nfs/dbraw/zinc/36/31/04/510363104.db2.gz VEJPVWZKLCTNEC-UHFFFAOYSA-N -2 0 350.783 2.640 20 30 FFEDRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435484150 513602599 /nfs/dbraw/zinc/60/25/99/513602599.db2.gz OFJQSYWLFNJLTN-UHFFFAOYSA-N -2 0 372.811 2.781 20 30 FFEDRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475784751 514809195 /nfs/dbraw/zinc/80/91/95/514809195.db2.gz DZLIFKFLISFCRJ-UHFFFAOYSA-N -2 0 362.432 2.974 20 30 FFEDRL N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000524381995 516706421 /nfs/dbraw/zinc/70/64/21/516706421.db2.gz DKBULEPNBKRERR-UHFFFAOYSA-N -2 0 374.346 2.720 20 30 FFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000546707578 517808445 /nfs/dbraw/zinc/80/84/45/517808445.db2.gz PQDMIEBJPYRVGI-UHFFFAOYSA-N -2 0 372.402 2.555 20 30 FFEDRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000566045637 519262393 /nfs/dbraw/zinc/26/23/93/519262393.db2.gz GECFOHXNNOADBO-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc(C)c1OCC(=O)[O-] ZINC000832858342 601498981 /nfs/dbraw/zinc/49/89/81/601498981.db2.gz CMXPPXWVDLKEHW-MRXNPFEDSA-N -2 0 372.421 2.538 20 30 FFEDRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000825449385 603402323 /nfs/dbraw/zinc/40/23/23/603402323.db2.gz PKBMJRKUVGYFEC-JTQLQIEISA-N -2 0 363.370 2.827 20 30 FFEDRL C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833370952 604769337 /nfs/dbraw/zinc/76/93/37/604769337.db2.gz JPOYVQUVXNFSRS-LLVKDONJSA-N -2 0 365.432 2.611 20 30 FFEDRL CCN(C(C)=O)c1nc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cs1 ZINC000757471447 736406514 /nfs/dbraw/zinc/40/65/14/736406514.db2.gz CISKFPKQVKMOIG-FNORWQNLSA-N -2 0 360.391 2.816 20 30 FFEDRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(F)c2C#N)cc1F ZINC000776584650 738211396 /nfs/dbraw/zinc/21/13/96/738211396.db2.gz LHQGLSOXGVZFIV-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#CCc1ccc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC000327067321 971362065 /nfs/dbraw/zinc/36/20/65/971362065.db2.gz PZGBNGWFBQGDDA-UHFFFAOYSA-N -2 0 356.403 2.670 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1C#N ZINC001599805482 988249876 /nfs/dbraw/zinc/24/98/76/988249876.db2.gz XYVKLSDCQZMHIF-UHFFFAOYSA-N -2 0 357.391 2.948 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001599349974 998076234 /nfs/dbraw/zinc/07/62/34/998076234.db2.gz OZQBSIJHXZTHRP-UHFFFAOYSA-N -2 0 371.374 2.547 20 30 FFEDRL Cc1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)cc1C(=O)[O-] ZINC001184698929 1002687348 /nfs/dbraw/zinc/68/73/48/1002687348.db2.gz LKWYCCUZCNICPN-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1C#N ZINC001185918214 1003132179 /nfs/dbraw/zinc/13/21/79/1003132179.db2.gz MCDGEHSJLBQNFD-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192145860 1004066036 /nfs/dbraw/zinc/06/60/36/1004066036.db2.gz VFRWSWYNNAYWPV-UHFFFAOYSA-N -2 0 366.345 2.654 20 30 FFEDRL N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195236325 1004913589 /nfs/dbraw/zinc/91/35/89/1004913589.db2.gz VMGXYDWCDBOLRZ-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL C[C@@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)CC[C@@H]1C(=O)[O-] ZINC000814847054 1006448289 /nfs/dbraw/zinc/44/82/89/1006448289.db2.gz YKYYCIDVQZLDBS-KOLCDFICSA-N -2 0 360.418 2.576 20 30 FFEDRL N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188303512 1006525885 /nfs/dbraw/zinc/52/58/85/1006525885.db2.gz SHWDJYKEXNCHQH-UHFFFAOYSA-N -2 0 361.766 2.582 20 30 FFEDRL COc1cc(C(=O)[O-])ccc1N=NCc1cccc(OCCC(=O)[O-])c1 ZINC000756899059 1023765875 /nfs/dbraw/zinc/76/58/75/1023765875.db2.gz NQACFNLTGMNIQI-UHFFFAOYSA-N -2 0 358.350 2.693 20 30 FFEDRL C=C[C@@H](CC)Oc1c([O-])cc2c(=O)oc3c(O)c([O-])cc4c(=O)oc1c2c43 ZINC001227575503 1035614397 /nfs/dbraw/zinc/61/43/97/1035614397.db2.gz TXECFUSFBUHRPJ-ZETCQYMHSA-N -2 0 370.313 2.951 20 30 FFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1F ZINC001259220133 1039813016 /nfs/dbraw/zinc/81/30/16/1039813016.db2.gz WAUQUZGBIHZJCB-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000328416494 511888351 /nfs/dbraw/zinc/88/83/51/511888351.db2.gz RJQPSUANLCCIRT-UHFFFAOYSA-N -2 0 364.354 2.513 20 30 FFEDRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000484539560 514679260 /nfs/dbraw/zinc/67/92/60/514679260.db2.gz LZIPQHBXNBXILO-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000548193653 516818691 /nfs/dbraw/zinc/81/86/91/516818691.db2.gz DWJNRDLKOPOCLH-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)c2ccccc2NC(=O)[O-])n1 ZINC000738814550 599868370 /nfs/dbraw/zinc/86/83/70/599868370.db2.gz SVPFZJKJNVJJQV-LLVKDONJSA-N -2 0 359.363 2.575 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000739130713 600546032 /nfs/dbraw/zinc/54/60/32/600546032.db2.gz XEEICVSVAZZMCI-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL C[C@H](Oc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc1)C(=O)[O-] ZINC000794694760 602106607 /nfs/dbraw/zinc/10/66/07/602106607.db2.gz HCDOGCRAUFGPJB-RSPDNQDQSA-N -2 0 370.357 2.898 20 30 FFEDRL C[C@H](Oc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1)C(=O)[O-] ZINC000827884323 602112779 /nfs/dbraw/zinc/11/27/79/602112779.db2.gz DUMXMCZINMKWTM-OHYQPGSNSA-N -3 0 356.330 2.838 20 30 FFEDRL CC(C)c1csc(C(C#N)=C([O-])c2csc(CNC(=O)[O-])n2)n1 ZINC000824476265 603440865 /nfs/dbraw/zinc/44/08/65/603440865.db2.gz JTIQGAFHGHBDJX-QMMMGPOBSA-N -2 0 350.425 2.981 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1C#N ZINC000829753279 604021466 /nfs/dbraw/zinc/02/14/66/604021466.db2.gz FASJVVZVQAOCHJ-UHFFFAOYSA-N -2 0 370.390 2.674 20 30 FFEDRL CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(C(=O)[O-])c(F)c2)o1 ZINC000823962906 609159499 /nfs/dbraw/zinc/15/94/99/609159499.db2.gz RFLKOHTYEGKEFA-UHFFFAOYSA-N -2 0 373.348 2.652 20 30 FFEDRL Cc1csc(C(C#N)=C([O-])c2ccc(C[N-]C(=O)C(F)(F)F)o2)n1 ZINC000860450122 730513490 /nfs/dbraw/zinc/51/34/90/730513490.db2.gz MIEQIVBKLFSBKN-SECBINFHSA-N -2 0 357.313 2.713 20 30 FFEDRL C#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1 ZINC000749142616 735697898 /nfs/dbraw/zinc/69/78/98/735697898.db2.gz NBAUMPMHHASUPP-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753777103 736093559 /nfs/dbraw/zinc/09/35/59/736093559.db2.gz DCORIEVHPKHHMW-UHFFFAOYSA-N -2 0 364.354 2.513 20 30 FFEDRL N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000776751135 738229940 /nfs/dbraw/zinc/22/99/40/738229940.db2.gz OUAOTMFHSJFORI-UHFFFAOYSA-N -2 0 353.743 2.626 20 30 FFEDRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC001599387727 996974964 /nfs/dbraw/zinc/97/49/64/996974964.db2.gz LQOGCKFOCKUTFF-UHFFFAOYSA-N -2 0 372.811 2.781 20 30 FFEDRL O=C([O-])COc1cccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000733206955 998926794 /nfs/dbraw/zinc/92/67/94/998926794.db2.gz TZIPBQSUOVDWBH-FPLPWBNLSA-N -2 0 356.330 2.510 20 30 FFEDRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001185877325 1003113423 /nfs/dbraw/zinc/11/34/23/1003113423.db2.gz GXYAOXJFLCXUOW-UHFFFAOYSA-N -2 0 363.395 2.651 20 30 FFEDRL N#Cc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC001192397889 1004160557 /nfs/dbraw/zinc/16/05/57/1004160557.db2.gz BSMPEPIDAMIMIR-UHFFFAOYSA-N -2 0 372.189 2.759 20 30 FFEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000757472493 1023823574 /nfs/dbraw/zinc/82/35/74/1023823574.db2.gz JJEIHDVAARCNQQ-DJWKRKHSSA-N -2 0 371.364 2.962 20 30 FFEDRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cnc1C#N ZINC001259213867 1039808108 /nfs/dbraw/zinc/80/81/08/1039808108.db2.gz QDFDCRJXQQILCU-UHFFFAOYSA-N -2 0 369.761 2.553 20 30 FFEDRL CCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001340249239 1050655976 /nfs/dbraw/zinc/65/59/76/1050655976.db2.gz LJANMGHKDGHTHK-WEVVVXLNSA-N -2 0 370.357 2.928 20 30 FFEDRL Cc1cc(C)c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(C(=O)[O-])c1 ZINC000129734387 508760224 /nfs/dbraw/zinc/76/02/24/508760224.db2.gz MARPEDWCKJOHRL-UHFFFAOYSA-N -2 0 366.345 2.952 20 30 FFEDRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C#N ZINC000435128739 513520115 /nfs/dbraw/zinc/52/01/15/513520115.db2.gz GACWPLRVOREBAT-UHFFFAOYSA-N -2 0 366.420 2.906 20 30 FFEDRL N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)F ZINC000739142993 600237454 /nfs/dbraw/zinc/23/74/54/600237454.db2.gz URLRZFVKVGYSQS-UHFFFAOYSA-N -2 0 368.317 2.659 20 30 FFEDRL Cc1oc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1C(=O)[O-] ZINC000833029796 601233346 /nfs/dbraw/zinc/23/33/46/601233346.db2.gz MOARSUFKQNDNBT-UHFFFAOYSA-N -2 0 364.379 2.770 20 30 FFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000830059804 601327651 /nfs/dbraw/zinc/32/76/51/601327651.db2.gz QQAIEWHUVSOEJD-POHAHGRESA-N -2 0 372.402 2.856 20 30 FFEDRL C[C@@H](Oc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1)C(=O)[O-] ZINC000794694758 602106759 /nfs/dbraw/zinc/10/67/59/602106759.db2.gz HCDOGCRAUFGPJB-PGJNLMOESA-N -2 0 370.357 2.898 20 30 FFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000829827558 604214165 /nfs/dbraw/zinc/21/41/65/604214165.db2.gz CQAYQJHMCXWEQF-SGMGOOAPSA-N -2 0 353.378 2.804 20 30 FFEDRL CCCc1nnc(SC=C([O-])C(C(=O)[O-])c2nc3ccccc3[nH]2)o1 ZINC000829574353 604748639 /nfs/dbraw/zinc/74/86/39/604748639.db2.gz WMLMVCQKUNFLDH-UHFFFAOYSA-N -2 0 360.395 2.517 20 30 FFEDRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000779849535 738489796 /nfs/dbraw/zinc/48/97/96/738489796.db2.gz WFLHMGUJFLHAGA-LLVKDONJSA-N -2 0 360.391 2.785 20 30 FFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000741658239 735154918 /nfs/dbraw/zinc/15/49/18/735154918.db2.gz PTZNZCZVFUCODH-UHFFFAOYSA-N -2 0 369.395 2.707 20 30 FFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000766063193 737188867 /nfs/dbraw/zinc/18/88/67/737188867.db2.gz PIHPFXFBNTWUOV-UHFFFAOYSA-N -2 0 364.354 2.513 20 30 FFEDRL CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC001597423507 987744489 /nfs/dbraw/zinc/74/44/89/987744489.db2.gz COIBGRDTCZQFLJ-UHFFFAOYSA-N -2 0 350.421 2.990 20 30 FFEDRL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1 ZINC001599811703 988347102 /nfs/dbraw/zinc/34/71/02/988347102.db2.gz VNGLVSHEWZASDC-CQSZACIVSA-N -2 0 371.418 2.635 20 30 FFEDRL O=C([O-])COc1ccc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806560179 1004361675 /nfs/dbraw/zinc/36/16/75/1004361675.db2.gz IZEARUFFWOUOGU-HOFZKYPUSA-N -2 0 352.342 2.988 20 30 FFEDRL N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188309056 1006528711 /nfs/dbraw/zinc/52/87/11/1006528711.db2.gz VSHRQZHWTINNDG-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL N#Cc1ccc(NC(=O)c2ccccc2OP(=O)([O-])[O-])c2cccnc12 ZINC001189888926 1007357973 /nfs/dbraw/zinc/35/79/73/1007357973.db2.gz LHQUEJRPDJAGQO-UHFFFAOYSA-N -2 0 369.273 2.830 20 30 FFEDRL O=C([O-])c1ccc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)s1 ZINC000865216827 1010748407 /nfs/dbraw/zinc/74/84/07/1010748407.db2.gz HZIDFWIDGYPBFS-GORDUTHDSA-N -2 0 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CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(Br)cc(Cl)c1[O-] ZINC000764666212 737039919 /nfs/dbraw/zinc/03/99/19/737039919.db2.gz JQBABYLHNOJUNF-UHFFFAOYSA-N -2 0 372.610 2.843 20 30 FFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000766062700 737188775 /nfs/dbraw/zinc/18/87/75/737188775.db2.gz GUFQPXAWFYQYPK-UHFFFAOYSA-N -2 0 364.354 2.513 20 30 FFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ocnc1C(=O)[O-] ZINC001599966119 985909242 /nfs/dbraw/zinc/90/92/42/985909242.db2.gz HJENQBAYJFTDED-LBPRGKRZSA-N -2 0 365.345 2.687 20 30 FFEDRL N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186190207 1003214103 /nfs/dbraw/zinc/21/41/03/1003214103.db2.gz IAKGYVBVMKNIPY-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL O=C([O-])c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([O-])c1 ZINC000806558765 1004361392 /nfs/dbraw/zinc/36/13/92/1004361392.db2.gz KZLWRCDYYXIFNW-ZZXKWVIFSA-N -2 0 358.262 2.803 20 30 FFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1F ZINC001194010585 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CCc1cc(C#N)c([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)s1 ZINC001597424579 987747638 /nfs/dbraw/zinc/74/76/38/987747638.db2.gz ROAXGQLMPVNVDR-UHFFFAOYSA-N -2 0 350.421 2.822 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)cc1C#N ZINC001599804953 988239466 /nfs/dbraw/zinc/23/94/66/988239466.db2.gz QFFZBMAHLPLMBB-CQSZACIVSA-N -2 0 371.418 2.635 20 30 FFEDRL C[C@@H](Oc1cccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c1)C(=O)[O-] ZINC000746682550 1001691852 /nfs/dbraw/zinc/69/18/52/1001691852.db2.gz CBQAVPPEUBQYMM-LJTDUEICSA-N -2 0 370.357 2.898 20 30 FFEDRL O=C([O-])c1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000806559286 1004361586 /nfs/dbraw/zinc/36/15/86/1004361586.db2.gz YOQMIQALIDGUTL-FPYGCLRLSA-N -2 0 353.374 2.823 20 30 FFEDRL N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198789624 1004728250 /nfs/dbraw/zinc/72/82/50/1004728250.db2.gz GNKUBGAJABAUDS-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195234981 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HNQJLMAJAXKHST-UHFFFAOYSA-N -2 0 363.391 2.759 20 30 FFEDRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000435133764 513519991 /nfs/dbraw/zinc/51/99/91/513519991.db2.gz SRPRCNGTMBGSRM-UHFFFAOYSA-N -2 0 364.379 2.746 20 30 FFEDRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435476831 513601177 /nfs/dbraw/zinc/60/11/77/513601177.db2.gz JVBUIJQYMSVCGY-UHFFFAOYSA-N -2 0 370.383 2.657 20 30 FFEDRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000436726892 513959695 /nfs/dbraw/zinc/95/96/95/513959695.db2.gz WVJQKVFUGRSJSE-UHFFFAOYSA-N -2 0 366.782 2.725 20 30 FFEDRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1)C(=O)[O-] ZINC000427325620 514183538 /nfs/dbraw/zinc/18/35/38/514183538.db2.gz XTUZVCVYFLUVHX-AWEZNQCLSA-N -2 0 373.434 2.716 20 30 FFEDRL C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433511191 514506669 /nfs/dbraw/zinc/50/66/69/514506669.db2.gz QDPWWGJCRNDNFT-UHFFFAOYSA-N -2 0 363.391 2.846 20 30 FFEDRL Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c(SCCC(=O)[O-])c1 ZINC000489309747 514791837 /nfs/dbraw/zinc/79/18/37/514791837.db2.gz BKDZUDLNUNZLSW-UHFFFAOYSA-N -2 0 366.420 2.827 20 30 FFEDRL N#CC1(CS(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2F)CCCCC1 ZINC000547914638 516631557 /nfs/dbraw/zinc/63/15/57/516631557.db2.gz JEMUDQNLZXVUTE-HNNXBMFYSA-N -2 0 368.430 2.735 20 30 FFEDRL CC1([C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C(=O)[O-])CCCCC1 ZINC000548684421 517144154 /nfs/dbraw/zinc/14/41/54/517144154.db2.gz HFWADMRUFGFGIT-AWEZNQCLSA-N -2 0 372.393 2.538 20 30 FFEDRL C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000819847732 597660082 /nfs/dbraw/zinc/66/00/82/597660082.db2.gz OLCNPXVPYUEMKQ-LBPRGKRZSA-N -2 0 361.579 2.751 20 30 FFEDRL N#Cc1ccc([O-])c(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1 ZINC000833977555 605539167 /nfs/dbraw/zinc/53/91/67/605539167.db2.gz PVJXEFBXGWUHQE-UHFFFAOYSA-N -2 0 354.366 2.633 20 30 FFEDRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cc1C(=O)[O-] ZINC000779844632 605597336 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FFEDRL Cc1cc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)ccc1C(=O)[O-] ZINC000795347103 740007641 /nfs/dbraw/zinc/00/76/41/740007641.db2.gz FPSWMTWPWYNNAN-GFCCVEGCSA-N -2 0 360.391 2.785 20 30 FFEDRL O=C([O-])c1cccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c1Cl ZINC000814780977 741863845 /nfs/dbraw/zinc/86/38/45/741863845.db2.gz PMDIEJDIFCJKCA-UHFFFAOYSA-N -2 0 359.794 2.919 20 30 FFEDRL CC[C@H](NN=Cc1ccc(OCc2cc(C)c(C(=O)[O-])o2)cc1)C(=O)[O-] ZINC000793072084 1003271050 /nfs/dbraw/zinc/27/10/50/1003271050.db2.gz OSHPJIXDBHFLAB-HNNXBMFYSA-N -2 0 360.366 2.652 20 30 FFEDRL N#Cc1c(Cl)nc2cccc(Cl)c2c1NCCOP(=O)([O-])[O-] ZINC001157795317 1003435149 /nfs/dbraw/zinc/43/51/49/1003435149.db2.gz KAFCCZXCVNJNAD-UHFFFAOYSA-N -2 0 362.109 2.934 20 30 FFEDRL N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC001187003573 1003528682 /nfs/dbraw/zinc/52/86/82/1003528682.db2.gz ATLRPNKOSITMDZ-UHFFFAOYSA-N -2 0 371.187 2.966 20 30 FFEDRL O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1 ZINC000806559059 1004361296 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ZINC000736746794 599987700 /nfs/dbraw/zinc/98/77/00/599987700.db2.gz OUMTZQJHYAGBFM-QGZVFWFLSA-N -2 0 371.393 2.628 20 30 FFEDRL C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c1)C(=O)[O-] ZINC000745020904 605145479 /nfs/dbraw/zinc/14/54/79/605145479.db2.gz JYABXPBWQVABQW-UTSBKAFOSA-N -2 0 370.357 2.898 20 30 FFEDRL N#Cc1ccc([O-])c(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[O-])c1 ZINC000833978054 605970427 /nfs/dbraw/zinc/97/04/27/605970427.db2.gz YHVOLNXWNKZVOR-INIZCTEOSA-N -2 0 364.361 2.563 20 30 FFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)cc1 ZINC000779825594 738487620 /nfs/dbraw/zinc/48/76/20/738487620.db2.gz ZZAOVWSSJPQBHF-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL Cn1c(=O)sc2cc(/C=C\C(=O)c3cc(C(=O)[O-])ccc3[O-])ccc21 ZINC000773144129 737874841 /nfs/dbraw/zinc/87/48/41/737874841.db2.gz YNDZHCMYDQAGIB-UTCJRWHESA-N -2 0 355.371 2.900 20 30 FFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793406600 739778077 /nfs/dbraw/zinc/77/80/77/739778077.db2.gz CSTVCCMHRDWSNL-UHFFFAOYSA-N -2 0 363.366 2.645 20 30 FFEDRL CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001589561977 948827215 /nfs/dbraw/zinc/82/72/15/948827215.db2.gz MGDCLSCQDPOGDZ-IAGOWNOFSA-N -2 0 350.374 2.975 20 30 FFEDRL N#Cc1ncc(Br)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236556 1013656386 /nfs/dbraw/zinc/65/63/86/1013656386.db2.gz OKBNXTONNYPADZ-UHFFFAOYSA-N -2 0 362.139 2.856 20 30 FFEDRL CSc1[n-]c(=O)c(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc1C#N ZINC001599804049 988224733 /nfs/dbraw/zinc/22/47/33/988224733.db2.gz CVGRTHAYZGXHLP-UHFFFAOYSA-N -2 0 363.782 2.985 20 30 FFEDRL COc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc([N+](=O)[O-])c1[O-] ZINC000915106973 988232181 /nfs/dbraw/zinc/23/21/81/988232181.db2.gz YXGKLBHCFWLSPX-DAXSKMNVSA-N -2 0 357.318 2.832 20 30 FFEDRL O=C([O-])c1ccc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1 ZINC000916130098 989744188 /nfs/dbraw/zinc/74/41/88/989744188.db2.gz HYCFSVZAPJEPOZ-CLTKARDFSA-N -2 0 367.401 2.819 20 30 FFEDRL COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184699633 1002687536 /nfs/dbraw/zinc/68/75/36/1002687536.db2.gz WMWNRMQEPQXCBW-UHFFFAOYSA-N -2 0 364.354 2.513 20 30 FFEDRL N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187548243 1006138730 /nfs/dbraw/zinc/13/87/30/1006138730.db2.gz MZWSOKDREYBPER-UHFFFAOYSA-N -2 0 372.189 2.759 20 30 FFEDRL C=C[C@H](CC)Oc1cc(S(=O)(=O)[O-])cc2cccc(S(=O)(=O)[O-])c21 ZINC001227553540 1035609053 /nfs/dbraw/zinc/60/90/53/1035609053.db2.gz DMSXQZUIZKKXOW-LLVKDONJSA-N -2 0 372.420 2.677 20 30 FFEDRL Cn1c(C=NNc2ccc(C(=O)[O-])cc2)c(Br)cc1C(=O)[O-] ZINC001251898935 1039342706 /nfs/dbraw/zinc/34/27/06/1039342706.db2.gz LNTICBUMJUDPFU-UHFFFAOYSA-N -2 0 366.171 2.630 20 30 FFEDRL C=CC[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC001588720718 1080170376 /nfs/dbraw/zinc/17/03/76/1080170376.db2.gz FOFXUMNZCTUXFK-LBPRGKRZSA-N -2 0 365.432 2.611 20 30 FFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000463527928 515535766 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20 30 FFEDRL C=C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833370565 604776628 /nfs/dbraw/zinc/77/66/28/604776628.db2.gz DFZUETLMEMSZIC-CYBMUJFWSA-N -2 0 359.403 2.550 20 30 FFEDRL N#CC(=C([O-])c1cnc(NC(=O)[O-])cn1)c1nc2ccccc2n1C(F)F ZINC000833961144 606012846 /nfs/dbraw/zinc/01/28/46/606012846.db2.gz OQYQQGVYAOPBAQ-QMMMGPOBSA-N -2 0 372.291 2.801 20 30 FFEDRL Cc1cc(C)c(C(=O)[O-])cc1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000814780784 741863989 /nfs/dbraw/zinc/86/39/89/741863989.db2.gz JJGKIBFSGFPORI-UHFFFAOYSA-N -2 0 353.403 2.882 20 30 FFEDRL O=C([O-])CCOc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000915985870 989722202 /nfs/dbraw/zinc/72/22/02/989722202.db2.gz YSWMLOGZGUHNRG-RMKNXTFCSA-N -2 0 370.357 2.900 20 30 FFEDRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)nc2)cc1C(=O)[O-] ZINC001184663514 1002679601 /nfs/dbraw/zinc/67/96/01/1002679601.db2.gz JEIBNXHKSKKVFF-UHFFFAOYSA-N -2 0 359.407 2.690 20 30 FFEDRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2scc([O-])c2C#N)cc1Cl ZINC001186064215 1003180220 /nfs/dbraw/zinc/18/02/20/1003180220.db2.gz MOWSDVSLNBBQCK-UHFFFAOYSA-N -2 0 371.827 2.738 20 30 FFEDRL C[C@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)CC[C@@H]1C(=O)[O-] ZINC000814847056 1006448055 /nfs/dbraw/zinc/44/80/55/1006448055.db2.gz YKYYCIDVQZLDBS-ONGXEEELSA-N -2 0 360.418 2.576 20 30 FFEDRL CN1C(=O)CCc2cc(/C=C\C(=O)c3cc(C(=O)[O-])ccc3[O-])ccc21 ZINC000774134892 1010487378 /nfs/dbraw/zinc/48/73/78/1010487378.db2.gz HABPWGWKQXGKOO-CLTKARDFSA-N -2 0 351.358 2.896 20 30 FFEDRL O=C([O-])c1ccc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)s1 ZINC000865216826 1010748921 /nfs/dbraw/zinc/74/89/21/1010748921.db2.gz HZIDFWIDGYPBFS-DJWKRKHSSA-N -2 0 373.430 2.880 20 30 FFEDRL O=C([O-])c1csc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)c1 ZINC000782199869 1029607731 /nfs/dbraw/zinc/60/77/31/1029607731.db2.gz JHRHJWMCUHIUGA-RQOWECAXSA-N -2 0 373.430 2.880 20 30 FFEDRL C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(OCC[P@@](=O)([O-])O)[C@@H]12 ZINC001224601599 1033948550 /nfs/dbraw/zinc/94/85/50/1033948550.db2.gz INUJWAWETJPPJQ-QBYUYEEZSA-N -2 0 356.355 2.558 20 30 FFEDRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000326195525 511854975 /nfs/dbraw/zinc/85/49/75/511854975.db2.gz UKZQDYISBVPSDL-UHFFFAOYSA-N -2 0 366.782 2.719 20 30 FFEDRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000739924006 602971420 /nfs/dbraw/zinc/97/14/20/602971420.db2.gz NYFUCUHCSHUXLJ-UHFFFAOYSA-N -2 0 361.379 2.766 20 30 FFEDRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000739924929 603331710 /nfs/dbraw/zinc/33/17/10/603331710.db2.gz WNGFKKUPOHPHKX-UHFFFAOYSA-N -2 0 361.379 2.766 20 30 FFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000829828663 604252023 /nfs/dbraw/zinc/25/20/23/604252023.db2.gz UXVVBAXEBZPSJY-CYBMUJFWSA-N -2 0 353.378 2.948 20 30 FFEDRL CCC(N=Nc1oc(C(C)C)nc1-c1nnn[n-]1)c1ccc(C(=O)[O-])cc1 ZINC000820832764 607148461 /nfs/dbraw/zinc/14/84/61/607148461.db2.gz NMZYUHOMIOIWCT-UHFFFAOYSA-N -2 0 369.385 2.903 20 30 FFEDRL N#CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1 ZINC000160041114 728916736 /nfs/dbraw/zinc/91/67/36/728916736.db2.gz CTNBHWLZHMFFAK-UHFFFAOYSA-N -2 0 352.318 2.530 20 30 FFEDRL N#CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000326630318 729790376 /nfs/dbraw/zinc/79/03/76/729790376.db2.gz QBXXZTLJOPYOPD-UHFFFAOYSA-N -2 0 366.782 2.741 20 30 FFEDRL C#Cc1cccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000749144673 735698367 /nfs/dbraw/zinc/69/83/67/735698367.db2.gz VUNXIWNNRBZLFW-UHFFFAOYSA-N -2 0 365.794 2.829 20 30 FFEDRL N#CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000313411252 845792608 /nfs/dbraw/zinc/79/26/08/845792608.db2.gz PKVVVVYFJLPCNX-UHFFFAOYSA-N -2 0 350.783 2.905 20 30 FFEDRL COCOc1ccc(CCC(=O)[O-])cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC001599276173 996806894 /nfs/dbraw/zinc/80/68/94/996806894.db2.gz UGVVZPVTRJGEBN-UHFFFAOYSA-N -2 0 370.361 2.516 20 30 FFEDRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001194270564 1004694813 /nfs/dbraw/zinc/69/48/13/1004694813.db2.gz NTWADKWPIJRVOC-UHFFFAOYSA-N -2 0 352.325 2.855 20 30 FFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1Cl ZINC001195186080 1004905229 /nfs/dbraw/zinc/90/52/29/1004905229.db2.gz XFXQOXXVQLEWOW-UHFFFAOYSA-N -2 0 372.736 2.989 20 30 FFEDRL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C#N ZINC001195244404 1004922568 /nfs/dbraw/zinc/92/25/68/1004922568.db2.gz FMNDLCBCUUJHJL-UHFFFAOYSA-N -2 0 366.345 2.952 20 30 FFEDRL N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188279184 1006499784 /nfs/dbraw/zinc/49/97/84/1006499784.db2.gz BTACADLJPGORSN-UHFFFAOYSA-N -2 0 372.189 2.759 20 30 FFEDRL COc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1CC(=O)[O-] ZINC000779358256 1023714984 /nfs/dbraw/zinc/71/49/84/1023714984.db2.gz HEIMIVIHPUGLLK-GORDUTHDSA-N -2 0 356.330 2.622 20 30 FFEDRL COC(=O)[C@@H](C)Oc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000758433776 1024113823 /nfs/dbraw/zinc/11/38/23/1024113823.db2.gz JJCMLVUNDNKIOU-BIPYJSMBSA-N -2 0 370.357 2.927 20 30 FFEDRL COC(=O)COc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000782185301 1029601729 /nfs/dbraw/zinc/60/17/29/1029601729.db2.gz QKKUINYGXRIYAC-XBXARRHUSA-N -2 0 356.330 2.538 20 30 FFEDRL N#Cc1ccsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213284 1039808009 /nfs/dbraw/zinc/80/80/09/1039808009.db2.gz LLWRBAZBMRTCDF-UHFFFAOYSA-N -2 0 360.775 2.911 20 30 FFEDRL N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001260215469 1040467061 /nfs/dbraw/zinc/46/70/61/1040467061.db2.gz AYWVHSUEQNWIGP-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)c1 ZINC001588872779 1080223808 /nfs/dbraw/zinc/22/38/08/1080223808.db2.gz JIQTUYDSMMFOIW-UHFFFAOYSA-N -2 0 357.771 2.997 20 30 FFEDRL CC(C)Oc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cccc1C(=O)[O-] ZINC000410400940 512253831 /nfs/dbraw/zinc/25/38/31/512253831.db2.gz KOSQDHBLUHWSEA-UHFFFAOYSA-N -2 0 360.391 2.844 20 30 FFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(Cl)c1 ZINC000321820577 511821716 /nfs/dbraw/zinc/82/17/16/511821716.db2.gz CRRPKFJWOSNIDS-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c1C#N ZINC000484492871 514667316 /nfs/dbraw/zinc/66/73/16/514667316.db2.gz LCCXRRNEWOOFKS-UHFFFAOYSA-N -2 0 352.318 2.644 20 30 FFEDRL N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000547866064 516607882 /nfs/dbraw/zinc/60/78/82/516607882.db2.gz QWPHWWUYARRJAS-UHFFFAOYSA-N -2 0 354.746 2.850 20 30 FFEDRL N#CC1(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])CCCCC1 ZINC000547871823 516610724 /nfs/dbraw/zinc/61/07/24/516610724.db2.gz JJPAMPWITAPCHC-UHFFFAOYSA-N -2 0 367.383 2.509 20 30 FFEDRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000548205419 516825946 /nfs/dbraw/zinc/82/59/46/516825946.db2.gz YEYOERQRKCBCTH-UHFFFAOYSA-N -2 0 370.308 2.783 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCCCC[C@H]2C(=O)[O-])c(F)c1 ZINC000548241228 516846445 /nfs/dbraw/zinc/84/64/45/516846445.db2.gz UOFITBAWRMUEQH-RISCZKNCSA-N -2 0 372.393 2.538 20 30 FFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000548241229 516846608 /nfs/dbraw/zinc/84/66/08/516846608.db2.gz UOFITBAWRMUEQH-SMDDNHRTSA-N -2 0 372.393 2.538 20 30 FFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000517159032 518045812 /nfs/dbraw/zinc/04/58/12/518045812.db2.gz SACVGVDDGPZPNM-UHFFFAOYSA-N -2 0 366.420 2.826 20 30 FFEDRL Cc1ncc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])cc1C#N ZINC000589973942 519115545 /nfs/dbraw/zinc/11/55/45/519115545.db2.gz WZBJPZPHWNRUGA-UHFFFAOYSA-N -2 0 365.798 2.723 20 30 FFEDRL CC(C)(C)n1cnnc1SC=C([O-])C(C(=O)[O-])c1nc2ccccc2[nH]1 ZINC000736305697 599731130 /nfs/dbraw/zinc/73/11/30/599731130.db2.gz LTOOALMFEWGXPC-UHFFFAOYSA-N -2 0 373.438 2.528 20 30 FFEDRL C[C@H](/N=C\c1cc(Br)cc(Br)c1[O-])C(=O)[O-] ZINC000738217267 600153644 /nfs/dbraw/zinc/15/36/44/600153644.db2.gz SFEIHVMCQAWZCM-OJUYWVBPSA-N -2 0 350.994 2.809 20 30 FFEDRL COc1ccc([C@H](CC(=O)[O-])/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000737951485 600494887 /nfs/dbraw/zinc/49/48/87/600494887.db2.gz VUZOEZGZUTYLHJ-FVOVHSBVSA-N -2 0 374.349 2.953 20 30 FFEDRL N#Cc1ccc(-c2csc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)n2)cc1 ZINC000833071057 600975234 /nfs/dbraw/zinc/97/52/34/600975234.db2.gz VJWRGCDMIQQGPW-UHFFFAOYSA-N -2 0 374.403 2.509 20 30 FFEDRL O=C([O-])C(C([O-])=CSc1ccc(Cl)nn1)c1nc2ccccc2[nH]1 ZINC000833163689 601344990 /nfs/dbraw/zinc/34/49/90/601344990.db2.gz LDLYCORHAWUWDI-UHFFFAOYSA-N -2 0 362.798 2.625 20 30 FFEDRL N#Cc1ccc([O-])c(NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)c1 ZINC000833976996 605539259 /nfs/dbraw/zinc/53/92/59/605539259.db2.gz KGRDXWIZDUBBDM-UHFFFAOYSA-N -2 0 365.389 2.914 20 30 FFEDRL